1,1-dimethyl-3-(1-methylpyrrol-2-yl)-5-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)piperidin-1-ium-2-one

Systemtic Name: 1,1-dimethyl-3-(1-methylpyrrol-2-yl)-5-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)piperidin-1-ium-2-one Openeye Name: 4-(2-isopropoxyphenyl)-1,1-dimethyl-3-(1-methylpyrrol-2-yl)-5-piperazin-1-yl-piperidin-1-ium-2-one CAS Name: 1,1-dimethyl-3-(1-methyl-2-pyrrolyl)-5-(1-piperazinyl)-4-(2-propan-2-yloxyphenyl)-2-piperidin-1-iumone IUPAC Name: 1,1-dimethyl-3-(1-methylpyrrol-2-yl)-5-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)piperidin-1-ium-2-one Traditional Name: 4-(2-isopropoxyphenyl)-1,1-dimethyl-3-(1-methylpyrrol-2-yl)-5-piperazino-piperidin-1-ium-2-one Formula: C25H37N4O2+ MolecularWeight: 425.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2C(C[N+](C(=O)C2C3=CC=CN3C)(C)C)N4CCNCC4

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2C(C[N+](C(=O)C2C3=CC=CN3C)(C)C)N4CCNCC4

InChI

InChI=1S/C25H37N4O2/c1-18(2)31-22-11-7-6-9-19(22)23-21(28-15-12-26-13-16-28)17-29(4,5)25(30)24(23)20-10-8-14-27(20)3/h6-11,14,18,21,23-24,26H,12-13,15-17H2,1-5H3/q+1