(3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-oxidanylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-oxidanylidene-2-(4-oxidanylpiperidin-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-(4-hydroxy-1-piperidyl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-(4-hydroxy-1-piperidinyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(4-ethoxybenzyl)-3-[2-(4-hydroxypiperidino)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C20H30N3O4+ MolecularWeight: 376.4699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CCC(CC3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC(CC3)O

InChI

InChI=1S/C20H29N3O4/c1-2-27-17-5-3-15(4-6-17)14-23-12-9-21-20(26)18(23)13-19(25)22-10-7-16(24)8-11-22/h3-6,16,18,24H,2,7-14H2,1H3,(H,21,26)/p+1/t18-/m1/s1