[(4S)-4-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]azanium

Systemtic Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]azanium Openeye Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]ammonium CAS Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-(1-pyrrolidin-1-iumyl)butyl]ammonium IUPAC Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ium-1-ylbutyl]azanium Traditional Name: [(4S)-4-(3,4-dimethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCC[NH3+])[NH+]2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CCC[NH3+])[NH+]2CCCC2)OC

InChI

InChI=1S/C16H26N2O2/c1-19-15-8-7-13(12-16(15)20-2)14(6-5-9-17)18-10-3-4-11-18/h7-8,12,14H,3-6,9-11,17H2,1-2H3/p+2/t14-/m0/s1