4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]aniline

Systemtic Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]aniline Openeye Name: 4-morpholinosulfonyl-2-nitro-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]aniline CAS Name: 4-(4-morpholinylsulfonyl)-2-nitro-N-[(1-propyl-4-piperidin-1-iumylidene)amino]aniline IUPAC Name: 4-morpholin-4-ylsulfonyl-2-nitro-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]aniline Traditional Name: (4-morpholinosulfonyl-2-nitro-phenyl)-[(1-propylpiperidin-1-ium-4-ylidene)amino]amine Formula: C18H28N5O5S+ MolecularWeight: 426.51042

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])CC1

InChI

InChI=1S/C18H27N5O5S/c1-2-7-21-8-5-15(6-9-21)19-20-17-4-3-16(14-18(17)23(24)25)29(26,27)22-10-12-28-13-11-22/h3-4,14,20H,2,5-13H2,1H3/p+1