4-(dimethylamino)-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(dimethylamino)-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(dimethylamino)-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(dimethylamino)-3-nitro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(dimethylamino)-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(dimethylamino)-3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-24(2)20-11-10-19(14-21(20)26(28)29)22(27)23-15-17-6-8-18(9-7-17)16-25-12-4-3-5-13-25/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,27)/p+1