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

Systemtic Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CC[NH+](C(C2)CCO)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CC[NH+]([C@H](C2)CCO)CCCC3=CC=CC=C3

InChI

InChI=1S/C24H34N2O3/c1-2-29-23-12-6-11-21(24(23)28)18-25-15-16-26(22(19-25)13-17-27)14-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-12,22,27-28H,2,7,10,13-19H2,1H3/p+1/t22-/m0/s1