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

Systemtic Name: 2-ethoxy-4-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-ethoxy-4-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]phenol CAS Name: 2-ethoxy-4-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2-ethoxy-4-[[(3S)-3-[4-(2-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=C(C=CC(=C1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC)O

InChI

InChI=1S/C25H35N3O3/c1-3-31-25-17-20(10-11-23(25)29)18-26-12-6-7-21(19-26)27-13-15-28(16-14-27)22-8-4-5-9-24(22)30-2/h4-5,8-11,17,21,29H,3,6-7,12-16,18-19H2,1-2H3/p+1/t21-/m0/s1