[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(3,4-dimethoxyphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OC)OC)[NH2+]CCC[NH+]2CCCC2

Isomeric SMILES

C[C@@H](C1=CC(=C(C=C1)OC)OC)[NH2+]CCC[NH+]2CCCC2

InChI

InChI=1S/C17H28N2O2/c1-14(18-9-6-12-19-10-4-5-11-19)15-7-8-16(20-2)17(13-15)21-3/h7-8,13-14,18H,4-6,9-12H2,1-3H3/p+2/t14-/m0/s1