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

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(4-methoxyphenyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-indan-2-yl-N-(4-methoxyphenyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(4-methoxyphenyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-(4-methoxyphenyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-(4-methoxyphenyl)amine Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-24-21-10-8-18(9-11-21)22-19-7-4-12-23(15-19)20-13-16-5-2-3-6-17(16)14-20/h2-3,5-6,8-11,19-20,22H,4,7,12-15H2,1H3/p+1/t19-/m0/s1