[(4S)-4-(2,5-dimethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]azanium

Systemtic Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]azanium Openeye Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-pyrrolidin-1-ium-1-yl-butyl]ammonium CAS Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-(1-pyrrolidin-1-iumyl)butyl]ammonium IUPAC Name: [(4S)-4-(2,5-dimethoxyphenyl)-4-pyrrolidin-1-ium-1-ylbutyl]azanium Traditional Name: [(4S)-4-(2,5-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=CC(=C(C=C1)OC)C(CCC[NH3+])[NH+]2CCCC2

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-19-13-7-8-16(20-2)14(12-13)15(6-5-9-17)18-10-3-4-11-18/h7-8,12,15H,3-6,9-11,17H2,1-2H3/p+2/t15-/m0/s1