1-ethyl-1-methyl-3-(1-methylpyrrol-2-yl)-5-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)piperidin-1-ium-2-one hydrochloride

Systemtic Name: 1-ethyl-1-methyl-3-(1-methylpyrrol-2-yl)-5-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)piperidin-1-ium-2-one hydrochloride Openeye Name: 1-ethyl-4-(2-isopropoxyphenyl)-1-methyl-3-(1-methylpyrrol-2-yl)-5-piperazin-1-yl-piperidin-1-ium-2-one hydrochloride CAS Name: 1-ethyl-1-methyl-3-(1-methyl-2-pyrrolyl)-5-(1-piperazinyl)-4-(2-propan-2-yloxyphenyl)-2-piperidin-1-iumone hydrochloride IUPAC Name: 1-ethyl-1-methyl-3-(1-methylpyrrol-2-yl)-5-piperazin-1-yl-4-(2-propan-2-yloxyphenyl)piperidin-1-ium-2-one hydrochloride Traditional Name: 1-ethyl-4-(2-isopropoxyphenyl)-1-methyl-3-(1-methylpyrrol-2-yl)-5-piperazino-piperidin-1-ium-2-one hydrochloride Formula: C26H40ClN4O2+ MolecularWeight: 476.0744

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC(C(C(C1=O)C2=CC=CN2C)C3=CC=CC=C3OC(C)C)N4CCNCC4)C.Cl

Isomeric SMILES

CC[N+]1(CC(C(C(C1=O)C2=CC=CN2C)C3=CC=CC=C3OC(C)C)N4CCNCC4)C.Cl

InChI

InChI=1S/C26H39N4O2.ClH/c1-6-30(5)18-22(29-16-13-27-14-17-29)24(20-10-7-8-12-23(20)32-19(2)3)25(26(30)31)21-11-9-15-28(21)4;/h7-12,15,19,22,24-25,27H,6,13-14,16-18H2,1-5H3;1H/q+1;