1-(4-bromophenyl)-3-[4-(2-methoxyethyl)piperazin-1-yl]-1-methyl-pyrrolidin-1-ium-2-one

Systemtic Name: 1-(4-bromophenyl)-3-[4-(2-methoxyethyl)piperazin-1-yl]-1-methyl-pyrrolidin-1-ium-2-one Openeye Name: 1-(4-bromophenyl)-3-[4-(2-methoxyethyl)piperazin-1-yl]-1-methyl-pyrrolidin-1-ium-2-one CAS Name: 1-(4-bromophenyl)-3-[4-(2-methoxyethyl)-1-piperazinyl]-1-methyl-2-pyrrolidin-1-iumone IUPAC Name: 1-(4-bromophenyl)-3-[4-(2-methoxyethyl)piperazin-1-yl]-1-methylpyrrolidin-1-ium-2-one Traditional Name: 1-(4-bromophenyl)-3-[4-(2-methoxyethyl)piperazino]-1-methyl-pyrrolidin-1-ium-2-one Formula: C18H27BrN3O2+ MolecularWeight: 397.32988

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1=O)N2CCN(CC2)CCOC)C3=CC=C(C=C3)Br

Isomeric SMILES

C[N+]1(CCC(C1=O)N2CCN(CC2)CCOC)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H27BrN3O2/c1-22(16-5-3-15(19)4-6-16)13-7-17(18(22)23)21-10-8-20(9-11-21)12-14-24-2/h3-6,17H,7-14H2,1-2H3/q+1