[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]methanone Formula: C23H28NO3+ MolecularWeight: 366.47332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)C3CC4=CC=CC=C4C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3/c1-26-21-10-9-18(14-22(21)27-2)23(25)19-8-5-11-24(15-19)20-12-16-6-3-4-7-17(16)13-20/h3-4,6-7,9-10,14,19-20H,5,8,11-13,15H2,1-2H3/p+1/t19-/m0/s1