N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-methyl-2-morpholin-4-ium-4-yl-propyl)-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H29N4O5S+ MolecularWeight: 413.51166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C18H28N4O5S/c1-18(2,20-9-11-27-12-10-20)14-19-16-6-5-15(13-17(16)22(23)24)28(25,26)21-7-3-4-8-21/h5-6,13,19H,3-4,7-12,14H2,1-2H3/p+1