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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CC[NH+](CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5)C

InChI

InChI=1S/C28H31N5O/c1-21-10-11-25(18-22(21)2)30-27(34)23-12-16-31(17-13-23)20-24-19-29-33(26-8-4-3-5-9-26)28(24)32-14-6-7-15-32/h3-11,14-15,18-19,23H,12-13,16-17,20H2,1-2H3,(H,30,34)/p+1