1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]ethanone Formula: C23H31N3O+2 MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H29N3O/c1-19-6-2-3-8-21(19)16-24-12-14-25(15-13-24)18-23(27)26-11-10-20-7-4-5-9-22(20)17-26/h2-9H,10-18H2,1H3/p+2