(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)-1-indan-2-yl-piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(3,4-dimethoxyphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-amine Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]amine Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2CCC[NH+](C2)C3CC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3)OC

InChI

InChI=1S/C22H28N2O2/c1-25-21-10-9-18(14-22(21)26-2)23-19-8-5-11-24(15-19)20-12-16-6-3-4-7-17(16)13-20/h3-4,6-7,9-10,14,19-20,23H,5,8,11-13,15H2,1-2H3/p+1/t19-/m0/s1