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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C28H36N5O+ MolecularWeight: 458.61834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2CC[NH+](CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2CC[NH+](CC2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H35N5O/c34-27(29-16-13-23-9-3-1-4-10-23)24-14-19-31(20-15-24)22-25-21-30-33(26-11-5-2-6-12-26)28(25)32-17-7-8-18-32/h2,5-9,11-12,17-18,21,24H,1,3-4,10,13-16,19-20,22H2,(H,29,34)/p+1