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

Systemtic Name: 1-[(2R)-2-(4-methoxy-3-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Openeye Name: 1-[(2R)-2-(4-methoxy-3-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium CAS Name: 1-[(2R)-2-(4-methoxy-3-methylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-[(2R)-2-(4-methoxy-3-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]piperazin-4-ium Traditional Name: 1-[(2R)-2-(4-methoxy-3-methyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium Formula: C18H31N3O+2 MolecularWeight: 305.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(CN2CC[NH2+]CC2)[NH+]3CCCC3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)[C@H](CN2CC[NH2+]CC2)[NH+]3CCCC3)OC

InChI

InChI=1S/C18H29N3O/c1-15-13-16(5-6-18(15)22-2)17(21-9-3-4-10-21)14-20-11-7-19-8-12-20/h5-6,13,17,19H,3-4,7-12,14H2,1-2H3/p+2/t17-/m0/s1