[(3S)-1-[(3-ethanoylphenyl)carbamoyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[(3-ethanoylphenyl)carbamoyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-[(3-acetylphenyl)carbamoyl]-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(3-acetylanilino)-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-[(3-acetylphenyl)carbamoyl]piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-[(3-acetylphenyl)carbamoyl]-3-piperidyl]-methyl-phenethyl-ammonium Formula: C23H30N3O2+ MolecularWeight: 380.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2/c1-18(27)20-10-6-11-21(16-20)24-23(28)26-14-7-12-22(17-26)25(2)15-13-19-8-4-3-5-9-19/h3-6,8-11,16,22H,7,12-15,17H2,1-2H3,(H,24,28)/p+1/t22-/m0/s1