[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methylphenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H29N3O3S/c1-16-7-8-17(19(23)21-13-11-20(2)12-14-21)15-18(16)26(24,25)22-9-5-3-4-6-10-22/h7-8,15H,3-6,9-14H2,1-2H3/p+1