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

Systemtic Name: [(3S)-1-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(4-carbethoxy-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C24H33N3O3/c1-5-30-24(29)21-17(2)22(25-18(21)3)23(28)27-14-9-12-20(16-27)26(4)15-13-19-10-7-6-8-11-19/h6-8,10-11,20,25H,5,9,12-16H2,1-4H3/p+1/t20-/m0/s1