4-[(S)-(3,4-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium

Systemtic Name: 4-[(S)-(3,4-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium Openeye Name: 4-[(S)-(3,4-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium CAS Name: 4-[(S)-(3,4-dimethoxyphenyl)-(1-pyrrolidin-1-iumyl)methyl]piperidin-1-ium IUPAC Name: 4-[(S)-(3,4-dimethoxyphenyl)-pyrrolidin-1-ium-1-ylmethyl]piperidin-1-ium Traditional Name: 4-[(S)-(3,4-dimethoxyphenyl)-pyrrolidin-1-ium-1-yl-methyl]piperidin-1-ium Formula: C18H30N2O2+2 MolecularWeight: 306.443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2CC[NH2+]CC2)[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C2CC[NH2+]CC2)[NH+]3CCCC3)OC

InChI

InChI=1S/C18H28N2O2/c1-21-16-6-5-15(13-17(16)22-2)18(20-11-3-4-12-20)14-7-9-19-10-8-14/h5-6,13-14,18-19H,3-4,7-12H2,1-2H3/p+2/t18-/m0/s1