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

Systemtic Name: 1-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C25H33N3O/c1-29-25-10-8-22(9-11-25)26-13-15-27(16-14-26)23-7-4-12-28(19-23)24-17-20-5-2-3-6-21(20)18-24/h2-3,5-6,8-11,23-24H,4,7,12-19H2,1H3/p+1/t23-/m0/s1