[1-[[4-[2-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)carbamoyl]cyclohexyl]phenyl]methyl]-4-(2-hydroxyethyl)piperazin-1-ium-1-yl]carbamic acid

Systemtic Name: [1-[[4-[2-[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)carbamoyl]cyclohexyl]phenyl]methyl]-4-(2-hydroxyethyl)piperazin-1-ium-1-yl]carbamic acid Openeye Name: [1-[[4-[2-[(2-amino-2-oxo-1-phenyl-ethyl)carbamoyl]cyclohexyl]phenyl]methyl]-4-(2-hydroxyethyl)piperazin-1-ium-1-yl]carbamic acid CAS Name: [1-[[4-[2-[[(2-amino-2-oxo-1-phenylethyl)amino]-oxomethyl]cyclohexyl]phenyl]methyl]-4-(2-hydroxyethyl)-1-piperazin-1-iumyl]carbamic acid IUPAC Name: [1-[[4-[2-[(2-amino-2-oxo-1-phenylethyl)carbamoyl]cyclohexyl]phenyl]methyl]-4-(2-hydroxyethyl)piperazin-1-ium-1-yl]carbamic acid Traditional Name: [1-[4-[2-[(2-amino-2-keto-1-phenyl-ethyl)carbamoyl]cyclohexyl]benzyl]-4-(2-hydroxyethyl)piperazin-1-ium-1-yl]carbamic acid Formula: C29H40N5O5+ MolecularWeight: 538.6584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=C(C=C2)C[N+]3(CCN(CC3)CCO)NC(=O)O)C(=O)NC(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC(C(C1)C2=CC=C(C=C2)C[N+]3(CCN(CC3)CCO)NC(=O)O)C(=O)NC(C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C29H39N5O5/c30-27(36)26(23-6-2-1-3-7-23)31-28(37)25-9-5-4-8-24(25)22-12-10-21(11-13-22)20-34(32-29(38)39)17-14-33(15-18-34)16-19-35/h1-3,6-7,10-13,24-26,32,35H,4-5,8-9,14-20H2,(H3-,30,31,36,37,38,39)/p+1