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

Systemtic Name: [(3S)-1-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonyl]piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Openeye Name: [(3S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium CAS Name: [(3S)-1-[(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]-3-piperidinyl]-methyl-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: [(3S)-1-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]-methyl-(2-pyridin-2-ylethyl)azanium Traditional Name: [(3S)-1-(4-carbethoxy-3,5-dimethyl-1H-pyrrole-2-carbonyl)-3-piperidyl]-methyl-[2-(2-pyridyl)ethyl]ammonium Formula: C23H33N4O3+ MolecularWeight: 413.53312

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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=N3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=N3)C

InChI

InChI=1S/C23H32N4O3/c1-5-30-23(29)20-16(2)21(25-17(20)3)22(28)27-13-8-10-19(15-27)26(4)14-11-18-9-6-7-12-24-18/h6-7,9,12,19,25H,5,8,10-11,13-15H2,1-4H3/p+1/t19-/m0/s1