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

Systemtic Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Openeye Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-[2-(2-pyridyl)ethyl]aniline CAS Name: N-methyl-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-nitro-N-[2-(2-pyridinyl)ethyl]aniline IUPAC Name: N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-N-(2-pyridin-2-ylethyl)aniline Traditional Name: methyl-[4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-[2-(2-pyridyl)ethyl]amine Formula: C19H26N5O4S+ MolecularWeight: 420.50584

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N(C)CCC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S/c1-21-11-13-23(14-12-21)29(27,28)17-6-7-18(19(15-17)24(25)26)22(2)10-8-16-5-3-4-9-20-16/h3-7,9,15H,8,10-14H2,1-2H3/p+1