[(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [(2S)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(1S)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O2/c1-18(24(29)25-22-12-9-11-20(16-22)19(2)28)26(3)17-21-10-5-6-13-23(21)27-14-7-4-8-15-27/h5-6,9-13,16,18H,4,7-8,14-15,17H2,1-3H3,(H,25,29)/p+1/t18-/m0/s1