2-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-5-nitro-benzenesulfonamide Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C19H23N3O5S/c1-15-2-7-18(22(23)24)12-19(15)28(25,26)20-13-16-3-5-17(6-4-16)14-21-8-10-27-11-9-21/h2-7,12,20H,8-11,13-14H2,1H3/p+1