2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine

Systemtic Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Openeye Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine CAS Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)-1-piperazinyl]-4-methyl-6-(4-methyl-1-piperazin-4-iumyl)pyrimidine IUPAC Name: 2-[4-(1,2-dihydroacenaphthylen-3-ylsulfonyl)piperazin-1-yl]-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Traditional Name: 2-(4-acenaphthen-3-ylsulfonylpiperazino)-4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidine Formula: C26H33N6O2S+ MolecularWeight: 493.64422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)N6CC[NH+](CC6)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)S(=O)(=O)C3=C4CCC5=CC=CC(=C54)C=C3)N6CC[NH+](CC6)C

InChI

InChI=1S/C26H32N6O2S/c1-19-18-24(30-12-10-29(2)11-13-30)28-26(27-19)31-14-16-32(17-15-31)35(33,34)23-9-7-21-5-3-4-20-6-8-22(23)25(20)21/h3-5,7,9,18H,6,8,10-17H2,1-2H3/p+1