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

Systemtic Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-thienylmethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(2-thenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C20H29N2O3S+ MolecularWeight: 377.52086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CS3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CS3)O

InChI

InChI=1S/C20H28N2O3S/c1-2-25-20-12-16(5-6-19(20)24)13-21-8-9-22(17(14-21)7-10-23)15-18-4-3-11-26-18/h3-6,11-12,17,23-24H,2,7-10,13-15H2,1H3/p+1/t17-/m0/s1