2,5-dimethyl-1-(phenylmethyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrole-3-carboxamide

Systemtic Name: 2,5-dimethyl-1-(phenylmethyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrole-3-carboxamide Openeye Name: 1-benzyl-N-(1-benzylpiperidin-1-ium-4-yl)-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: 2,5-dimethyl-1-(phenylmethyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrrolecarboxamide IUPAC Name: 1-benzyl-N-(1-benzylpiperidin-1-ium-4-yl)-2,5-dimethylpyrrole-3-carboxamide Traditional Name: 1-benzyl-N-(1-benzylpiperidin-1-ium-4-yl)-2,5-dimethyl-pyrrole-3-carboxamide Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O/c1-20-17-25(21(2)29(20)19-23-11-7-4-8-12-23)26(30)27-24-13-15-28(16-14-24)18-22-9-5-3-6-10-22/h3-12,17,24H,13-16,18-19H2,1-2H3,(H,27,30)/p+1