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

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl]-methyl-[[2-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-methyl-[[2-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]-methyl-[(2-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl]-methyl-(2-piperidinobenzyl)ammonium Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O2/c1-18(24(30)26-22-13-11-21(12-14-22)25-19(2)29)27(3)17-20-9-5-6-10-23(20)28-15-7-4-8-16-28/h5-6,9-14,18H,4,7-8,15-17H2,1-3H3,(H,25,29)(H,26,30)/p+1/t18-/m0/s1