[4-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(1-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]-(3-methylpyrrolidin-1-yl)methanone

Systemtic Name: [4-(3-cyclopentyloxy-4-methoxy-phenyl)-3-(1-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]-(3-methylpyrrolidin-1-yl)methanone Openeye Name: [4-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(1-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]-(3-methylpyrrolidin-1-yl)methanone CAS Name: [4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-4-methyl-1-piperazin-4-iumyl]-(3-methyl-1-pyrrolidinyl)methanone IUPAC Name: [4-(3-cyclopentyloxy-4-methoxyphenyl)-3-(1-hydroxyethyl)-4-methylpiperazin-4-ium-1-yl]-(3-methylpyrrolidin-1-yl)methanone Traditional Name: [4-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-(1-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]-(3-methylpyrrolidino)methanone Formula: C25H40N3O4+ MolecularWeight: 446.6028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C(=O)N2CC[N+](C(C2)C(C)O)(C)C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC1CCN(C1)C(=O)N2CC[N+](C(C2)C(C)O)(C)C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C25H40N3O4/c1-18-11-12-26(16-18)25(30)27-13-14-28(3,22(17-27)19(2)29)20-9-10-23(31-4)24(15-20)32-21-7-5-6-8-21/h9-10,15,18-19,21-22,29H,5-8,11-14,16-17H2,1-4H3/q+1