4-methylsulfonyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-nitro-aniline

Systemtic Name: 4-methylsulfonyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-nitro-aniline Openeye Name: 4-methylsulfonyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-nitro-aniline CAS Name: 4-methylsulfonyl-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-2-nitroaniline IUPAC Name: 4-methylsulfonyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-nitroaniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[4-(morpholin-4-ium-4-ylmethyl)benzyl]amine Formula: C19H24N3O5S+ MolecularWeight: 406.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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