[(3S)-1-[(5-ethanoyl-2,4-dimethyl-1H-pyrrol-3-yl)carbonyl]piperidin-3-yl]-methyl-phenethyl-azanium

Systemtic Name: [(3S)-1-[(5-ethanoyl-2,4-dimethyl-1H-pyrrol-3-yl)carbonyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(5-acetyl-2,4-dimethyl-1H-pyrrol-3-yl)-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=C3)C)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3)C)C(=O)C

InChI

InChI=1S/C23H31N3O2/c1-16-21(17(2)24-22(16)18(3)27)23(28)26-13-8-11-20(15-26)25(4)14-12-19-9-6-5-7-10-19/h5-7,9-10,20,24H,8,11-15H2,1-4H3/p+1/t20-/m0/s1