1-[(S)-(3,4-dimethoxyphenyl)-pyridin-3-yl-methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(3,4-dimethoxyphenyl)-pyridin-3-yl-methyl]piperazin-4-ium Openeye Name: 1-[(S)-(3,4-dimethoxyphenyl)-(3-pyridyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(3,4-dimethoxyphenyl)-(3-pyridinyl)methyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3,4-dimethoxyphenyl)-pyridin-3-ylmethyl]piperazin-4-ium Traditional Name: 1-[(S)-(3,4-dimethoxyphenyl)-(3-pyridyl)methyl]piperazin-4-ium Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CN=CC=C2)N3CC[NH2+]CC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C2=CN=CC=C2)N3CC[NH2+]CC3)OC

InChI

InChI=1S/C18H23N3O2/c1-22-16-6-5-14(12-17(16)23-2)18(15-4-3-7-20-13-15)21-10-8-19-9-11-21/h3-7,12-13,18-19H,8-11H2,1-2H3/p+1/t18-/m0/s1