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

Systemtic Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-ethoxyphenyl)methyl]-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-4-(4-ethoxybenzyl)-3-[2-keto-2-(4-methylpiperidino)ethyl]piperazin-4-ium-2-one Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-3-27-18-6-4-17(5-7-18)15-24-13-10-22-21(26)19(24)14-20(25)23-11-8-16(2)9-12-23/h4-7,16,19H,3,8-15H2,1-2H3,(H,22,26)/p+1/t19-/m1/s1