1-[(3S)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(6-chloranyl-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Openeye Name: 1-[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine CAS Name: 1-[(3S)-1-[(6-chloro-2H-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumyl]-4-(2-methylphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Traditional Name: 1-[(3S)-1-[(6-chloro-2H-chromen-3-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine Formula: C26H33ClN3O+ MolecularWeight: 439.01272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClN3O/c1-20-5-2-3-7-25(20)30-13-11-29(12-14-30)24-6-4-10-28(18-24)17-21-15-22-16-23(27)8-9-26(22)31-19-21/h2-3,5,7-9,15-16,24H,4,6,10-14,17-19H2,1H3/p+1/t24-/m0/s1