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

Systemtic Name: 4-(cyclopropylamino)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-nitro-benzamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3C[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c27-22(16-5-8-20(24-19-6-7-19)21(13-16)26(28)29)23-14-17-3-1-2-4-18(17)15-25-9-11-30-12-10-25/h1-5,8,13,19,24H,6-7,9-12,14-15H2,(H,23,27)/p+1