1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: N-isopropyl-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: N-isopropyl-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C23H30N5O+ MolecularWeight: 392.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)CC2=C(N(N=C2)C3=CC=CC=C3)N4C=CC=C4

InChI

InChI=1S/C23H29N5O/c1-18(2)25-22(29)19-10-14-26(15-11-19)17-20-16-24-28(21-8-4-3-5-9-21)23(20)27-12-6-7-13-27/h3-9,12-13,16,18-19H,10-11,14-15,17H2,1-2H3,(H,25,29)/p+1