4-methylsulfonyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amine Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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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+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)C[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O4S/c1-27(25,26)17-8-9-18(19(12-17)22(23)24)20-13-15-4-6-16(7-5-15)14-21-10-2-3-11-21/h4-9,12,20H,2-3,10-11,13-14H2,1H3/p+1