[(1R)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-(4-methoxy-3-methylphenyl)-2-(1-piperazin-4-iumyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-1-(4-methoxy-3-methylphenyl)-2-piperazin-4-ium-1-ylethyl]-dimethylazanium Traditional Name: [(1R)-1-(4-methoxy-3-methyl-phenyl)-2-piperazin-4-ium-1-yl-ethyl]-dimethyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CN2CC[NH2+]CC2)[NH+](C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](CN2CC[NH2+]CC2)[NH+](C)C)OC

InChI

InChI=1S/C16H27N3O/c1-13-11-14(5-6-16(13)20-4)15(18(2)3)12-19-9-7-17-8-10-19/h5-6,11,15,17H,7-10,12H2,1-4H3/p+2/t15-/m0/s1