(2-ethoxyphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-ethoxyphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-ethoxyphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone CAS Name: (2-ethoxyphenyl)-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: (2-ethoxyphenyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]-o-phenetyl-methanone Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H28N4O4S/c1-3-26-17-7-5-4-6-16(17)18(23)20-10-14-22(15-11-20)27(24,25)21-12-8-19(2)9-13-21/h4-7H,3,8-15H2,1-2H3/p+1