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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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