N,N-bis(2-methoxyethyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline

Systemtic Name: N,N-bis(2-methoxyethyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline Openeye Name: N,N-bis(2-methoxyethyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-aniline CAS Name: N,N-bis(2-methoxyethyl)-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitroaniline IUPAC Name: N,N-bis(2-methoxyethyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline Traditional Name: bis(2-methoxyethyl)-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]amine Formula: C17H29N4O6S+ MolecularWeight: 417.50036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(CCOC)CCOC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(CCOC)CCOC)[N+](=O)[O-]

InChI

InChI=1S/C17H28N4O6S/c1-18-6-8-20(9-7-18)28(24,25)15-4-5-16(17(14-15)21(22)23)19(10-12-26-2)11-13-27-3/h4-5,14H,6-13H2,1-3H3/p+1