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

Systemtic Name: 4-methoxy-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-28-20-10-9-18(13-19(20)24(26)27)21(25)22-14-16-5-7-17(8-6-16)15-23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14-15H2,1H3,(H,22,25)/p+1