4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-pyridylmethyl)aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-(2-pyridinylmethyl)aniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(pyridin-2-ylmethyl)aniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-(2-pyridylmethyl)amine Formula: C17H22N5O4S+ MolecularWeight: 392.45268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4S/c1-20-8-10-21(11-9-20)27(25,26)15-5-6-16(17(12-15)22(23)24)19-13-14-4-2-3-7-18-14/h2-7,12,19H,8-11,13H2,1H3/p+1