(3R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(E)-3-(2-methoxyphenyl)allyl]-3-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[2-oxo-2-(1-piperidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-piperidino-ethyl)-4-[(E)-3-(2-methoxyphenyl)allyl]piperazin-4-ium-2-one Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCNC(=O)C2CC(=O)N3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCCC3

InChI

InChI=1S/C21H29N3O3/c1-27-19-10-4-3-8-17(19)9-7-14-23-15-11-22-21(26)18(23)16-20(25)24-12-5-2-6-13-24/h3-4,7-10,18H,2,5-6,11-16H2,1H3,(H,22,26)/p+1/b9-7+/t18-/m1/s1