[(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(1S)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+](C)CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+](C)CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C23H30N4O2/c1-17(23(29)25-20-12-10-18(11-13-20)22(24)28)26(2)16-19-8-4-5-9-21(19)27-14-6-3-7-15-27/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3,(H2,24,28)(H,25,29)/p+1/t17-/m0/s1