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

Systemtic Name: (3R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one Openeye Name: (3R)-4-[(E)-3-(2-methoxyphenyl)allyl]-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-2-one CAS Name: (3R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(2-keto-2-pyrrolidino-ethyl)-4-[(E)-3-(2-methoxyphenyl)allyl]piperazin-4-ium-2-one Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC[NH+]2CCNC(=O)C2CC(=O)N3CCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCC3

InChI

InChI=1S/C20H27N3O3/c1-26-18-9-3-2-7-16(18)8-6-13-22-14-10-21-20(25)17(22)15-19(24)23-11-4-5-12-23/h2-3,6-9,17H,4-5,10-15H2,1H3,(H,21,25)/p+1/b8-6+/t17-/m1/s1