1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C23H29N3O/c1-18-6-5-9-22(19(18)2)25-14-12-24(13-15-25)17-23(27)26-11-10-20-7-3-4-8-21(20)16-26/h3-9H,10-17H2,1-2H3/p+1