1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)-3-pyrrolyl]-2-(4-methyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]-2-(4-methylpiperidin-1-ium-1-yl)ethanone Formula: C26H31N2O+ MolecularWeight: 387.53714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H30N2O/c1-19-13-15-27(16-14-19)18-26(29)25-17-20(2)28(21(25)3)24-11-9-23(10-12-24)22-7-5-4-6-8-22/h4-12,17,19H,13-16,18H2,1-3H3/p+1