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

Systemtic Name: N-(phenylmethyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: N-benzyl-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: N-(phenylmethyl)-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: N-benzyl-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C27H30N5O+ MolecularWeight: 440.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC(C[NH+](C1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O/c33-26(28-18-22-10-3-1-4-11-22)23-12-9-15-30(20-23)21-24-19-29-32(25-13-5-2-6-14-25)27(24)31-16-7-8-17-31/h1-8,10-11,13-14,16-17,19,23H,9,12,15,18,20-21H2,(H,28,33)/p+1