N-[(4-methylphenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: 1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-3-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: N-(4-methylbenzyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C28H32N5O+ MolecularWeight: 454.58658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCC[NH+](C2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCC[NH+](C2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H31N5O/c1-22-11-13-23(14-12-22)18-29-27(34)24-8-7-15-31(20-24)21-25-19-30-33(26-9-3-2-4-10-26)28(25)32-16-5-6-17-32/h2-6,9-14,16-17,19,24H,7-8,15,18,20-21H2,1H3,(H,29,34)/p+1