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

Systemtic Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-4-[[(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=C(C=CC(=C1)CN2CC[NH+](C(C2)CCO)CCCC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CC[NH+]([C@H](C2)CCO)CCCC3=CC=CC=C3)O

InChI

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