N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]propyl]pyridine-4-carboxamide

Systemtic Name: N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]propyl]pyridine-4-carboxamide Openeye Name: N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]propyl]pyridine-4-carboxamide CAS Name: N-[3-[5-(1-azepan-1-iumylmethyl)-2-methoxyphenoxy]propyl]-4-pyridinecarboxamide IUPAC Name: N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxyphenoxy]propyl]pyridine-4-carboxamide Traditional Name: N-[3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]propyl]isonicotinamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCCC2)OCCCNC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCCCC2)OCCCNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C23H31N3O3/c1-28-21-8-7-19(18-26-14-4-2-3-5-15-26)17-22(21)29-16-6-11-25-23(27)20-9-12-24-13-10-20/h7-10,12-13,17H,2-6,11,14-16,18H2,1H3,(H,25,27)/p+1