6-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 6-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 6-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 6-methoxy-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 6-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 6-methoxy-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]nicotinamide Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2/c1-25-19-10-9-18(14-21-19)20(24)22-13-16-5-7-17(8-6-16)15-23-11-3-2-4-12-23/h5-10,14H,2-4,11-13,15H2,1H3,(H,22,24)/p+1