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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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