[3-(methoxymethyl)phenyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(methoxymethyl)phenyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(methoxymethyl)phenyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone CAS Name: [3-(methoxymethyl)phenyl]-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1-piperazinyl]methanone IUPAC Name: [3-(methoxymethyl)phenyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(methoxymethyl)phenyl]-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylpiperazino]methanone Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)COC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)COC

InChI

InChI=1S/C18H28N4O4S/c1-19-6-10-21(11-7-19)27(24,25)22-12-8-20(9-13-22)18(23)17-5-3-4-16(14-17)15-26-2/h3-5,14H,6-13,15H2,1-2H3/p+1