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

Systemtic Name: 1-(furan-2-ylmethyl)-2,5-dimethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrole-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrrolecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carboxamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-18-15-23(19(2)27(18)17-22-9-6-14-29-22)24(28)25-21-10-12-26(13-11-21)16-20-7-4-3-5-8-20/h3-9,14-15,21H,10-13,16-17H2,1-2H3,(H,25,28)/p+1