(3R)-3-[2-(5-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(5-chloranyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-cyclopentyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-cyclopentylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-cyclopentyl-piperazin-4-ium-2-one Formula: C20H27ClN3O2+ MolecularWeight: 376.90028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)N3CCC4=C(C3)C=CC=C4Cl

Isomeric SMILES

C1CCC(C1)[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCC4=C(C3)C=CC=C4Cl

InChI

InChI=1S/C20H26ClN3O2/c21-17-7-3-4-14-13-23(10-8-16(14)17)19(25)12-18-20(26)22-9-11-24(18)15-5-1-2-6-15/h3-4,7,15,18H,1-2,5-6,8-13H2,(H,22,26)/p+1/t18-/m1/s1