4-(methylamino)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide

Systemtic Name: 4-(methylamino)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(methylamino)-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(methylamino)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(methylamino)-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-3-nitro-benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-21-18-7-6-17(12-19(18)24(26)27)20(25)22-13-15-2-4-16(5-3-15)14-23-8-10-28-11-9-23/h2-7,12,21H,8-11,13-14H2,1H3,(H,22,25)/p+1