2-ethoxy-6-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-6-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]phenol CAS Name: 2-ethoxy-6-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methyl]phenol Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H35N3O3/c1-3-31-24-8-4-6-20(25(24)29)18-26-13-5-7-22(19-26)28-16-14-27(15-17-28)21-9-11-23(30-2)12-10-21/h4,6,8-12,22,29H,3,5,7,13-19H2,1-2H3/p+1/t22-/m0/s1