1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Openeye Name: 1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine CAS Name: 1-[(3S)-1-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumyl]-4-(2-methylphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Traditional Name: 1-[(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)CC4=CC5=C(C(=CC=C5)OC)OC4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC5=C(C(=CC=C5)OC)OC4

InChI

InChI=1S/C27H35N3O2/c1-21-7-3-4-10-25(21)30-15-13-29(14-16-30)24-9-6-12-28(19-24)18-22-17-23-8-5-11-26(31-2)27(23)32-20-22/h3-5,7-8,10-11,17,24H,6,9,12-16,18-20H2,1-2H3/p+1/t24-/m0/s1