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

Systemtic Name: [1-[(3S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Openeye Name: [1-[(3S)-1-[1-(2-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-yl]-4-piperidyl]methanol CAS Name: [1-[(3S)-1-[1-(2-methoxyphenyl)-4-piperidinyl]-3-piperidin-1-iumyl]-4-piperidinyl]methanol IUPAC Name: [1-[(3S)-1-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]piperidin-4-yl]methanol Traditional Name: [1-[(3S)-1-[1-(2-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-yl]-4-piperidyl]methanol Formula: C23H38N3O2+ MolecularWeight: 388.56672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CCCC(C3)N4CCC(CC4)CO

Isomeric SMILES

COC1=CC=CC=C1N2CCC(CC2)[NH+]3CCC[C@@H](C3)N4CCC(CC4)CO

InChI

InChI=1S/C23H37N3O2/c1-28-23-7-3-2-6-22(23)25-15-10-20(11-16-25)26-12-4-5-21(17-26)24-13-8-19(18-27)9-14-24/h2-3,6-7,19-21,27H,4-5,8-18H2,1H3/p+1/t21-/m0/s1