[2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]-methyl-phenylmethoxycarbonyl-piperidin-4-yl-azanium

Systemtic Name: [2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]-methyl-phenylmethoxycarbonyl-piperidin-4-yl-azanium Openeye Name: benzyloxycarbonyl-[2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]-methyl-(4-piperidyl)ammonium CAS Name: [[2-cyclohexylethyl(2-hydroxyethyl)amino]-oxomethyl]-methyl-phenylmethoxycarbonyl-(4-piperidinyl)ammonium IUPAC Name: [2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]-methyl-phenylmethoxycarbonyl-piperidin-4-ylazanium Traditional Name: carbobenzoxy-[2-cyclohexylethyl(2-hydroxyethyl)carbamoyl]-methyl-(4-piperidyl)ammonium Formula: C25H40N3O4+ MolecularWeight: 446.6028

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1CCNCC1)(C(=O)N(CCC2CCCCC2)CCO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[N+](C1CCNCC1)(C(=O)N(CCC2CCCCC2)CCO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H40N3O4/c1-28(23-12-15-26-16-13-23,25(31)32-20-22-10-6-3-7-11-22)24(30)27(18-19-29)17-14-21-8-4-2-5-9-21/h3,6-7,10-11,21,23,26,29H,2,4-5,8-9,12-20H2,1H3/q+1