N-carbamimidoyl-4-(1-methylpiperazin-1-ium-1-yl)-N-methylsulfonyl-benzamide

Systemtic Name: N-carbamimidoyl-4-(1-methylpiperazin-1-ium-1-yl)-N-methylsulfonyl-benzamide Openeye Name: N-carbamimidoyl-4-(1-methylpiperazin-1-ium-1-yl)-N-methylsulfonyl-benzamide CAS Name: N-carbamimidoyl-4-(1-methyl-1-piperazin-1-iumyl)-N-methylsulfonylbenzamide IUPAC Name: N-carbamimidoyl-4-(1-methylpiperazin-1-ium-1-yl)-N-methylsulfonylbenzamide Traditional Name: N-amidino-N-mesyl-4-(1-methylpiperazin-1-ium-1-yl)benzamide Formula: C14H22N5O3S+ MolecularWeight: 340.42118

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C2=CC=C(C=C2)C(=O)N(C(=N)N)S(=O)(=O)C

Isomeric SMILES

C[N+]1(CCNCC1)C2=CC=C(C=C2)C(=O)N(C(=N)N)S(=O)(=O)C

InChI

InChI=1S/C14H22N5O3S/c1-19(9-7-17-8-10-19)12-5-3-11(4-6-12)13(20)18(14(15)16)23(2,21)22/h3-6,17H,7-10H2,1-2H3,(H3,15,16)/q+1