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

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: [(1-methylpiperidin-1-ium-4-ylidene)amino]-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C16H24N5O5S+ MolecularWeight: 398.45726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O5S/c1-19-6-4-13(5-7-19)17-18-15-3-2-14(12-16(15)21(22)23)27(24,25)20-8-10-26-11-9-20/h2-3,12,18H,4-11H2,1H3/p+1