1-[(3S)-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Openeye Name: 1-[(3S)-1-[1-(3-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine CAS Name: 1-[(3S)-1-[1-(3-methoxyphenyl)-4-piperidinyl]-3-piperidin-1-iumyl]-4-(2-methylphenyl)piperazine IUPAC Name: 1-[(3S)-1-[1-(3-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-4-(2-methylphenyl)piperazine Traditional Name: 1-[(3S)-1-[1-(3-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine Formula: C28H41N4O+ MolecularWeight: 449.65134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCC[NH+](C3)C4CCN(CC4)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)[C@H]3CCC[NH+](C3)C4CCN(CC4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C28H40N4O/c1-23-7-3-4-11-28(23)31-19-17-30(18-20-31)26-9-6-14-32(22-26)24-12-15-29(16-13-24)25-8-5-10-27(21-25)33-2/h3-5,7-8,10-11,21,24,26H,6,9,12-20,22H2,1-2H3/p+1/t26-/m0/s1