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

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-18-7-8-22(19(2)15-18)30(28,29)26-13-11-24(12-14-26)17-23(27)25-10-9-20-5-3-4-6-21(20)16-25/h3-8,15H,9-14,16-17H2,1-2H3/p+1