4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-nitro-aniline

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-nitro-aniline Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-nitro-aniline CAS Name: 4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-2-nitroaniline IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2-nitroaniline Traditional Name: [4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitro-phenyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]amine Formula: C20H35N5O4S+2 MolecularWeight: 441.588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H33N5O4S/c1-17-6-10-23(11-7-17)9-3-8-21-19-5-4-18(16-20(19)25(26)27)30(28,29)24-14-12-22(2)13-15-24/h4-5,16-17,21H,3,6-15H2,1-2H3/p+2