1-ethyl-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-phenyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[4-[(4-methyl-1-piperidyl)sulfonyl]-2-nitro-phenyl]piperazin-1-ium CAS Name: 1-ethyl-4-[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-nitrophenyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[4-(4-methylpiperidin-1-yl)sulfonyl-2-nitrophenyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[4-(4-methylpiperidino)sulfonyl-2-nitro-phenyl]piperazin-1-ium Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H28N4O4S/c1-3-19-10-12-20(13-11-19)17-5-4-16(14-18(17)22(23)24)27(25,26)21-8-6-15(2)7-9-21/h4-5,14-15H,3,6-13H2,1-2H3/p+1