4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-nitro-benzenesulfonamide Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

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