2-(3-ethanoyl-2-methyl-5-phenyl-pyrrol-1-yl)-1-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethanone

Systemtic Name: 2-(3-ethanoyl-2-methyl-5-phenyl-pyrrol-1-yl)-1-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethanone Openeye Name: 2-(3-acetyl-2-methyl-5-phenyl-pyrrol-1-yl)-1-(4-piperidin-1-ium-1-yl-1-piperidyl)ethanone CAS Name: 2-(3-acetyl-2-methyl-5-phenyl-1-pyrrolyl)-1-[4-(1-piperidin-1-iumyl)-1-piperidinyl]ethanone IUPAC Name: 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-1-(4-piperidin-1-ium-1-ylpiperidin-1-yl)ethanone Traditional Name: 2-(3-acetyl-2-methyl-5-phenyl-pyrrol-1-yl)-1-(4-piperidin-1-ium-1-ylpiperidino)ethanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC(=O)N2CCC(CC2)[NH+]3CCCCC3)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(C=C(N1CC(=O)N2CCC(CC2)[NH+]3CCCCC3)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C25H33N3O2/c1-19-23(20(2)29)17-24(21-9-5-3-6-10-21)28(19)18-25(30)27-15-11-22(12-16-27)26-13-7-4-8-14-26/h3,5-6,9-10,17,22H,4,7-8,11-16,18H2,1-2H3/p+1