N-[3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]propyl]pyridine-2-carboxamide

Systemtic Name: N-[3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]propyl]pyridine-2-carboxamide Openeye Name: N-[3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]propyl]pyridine-2-carboxamide CAS Name: N-[3-[3-(1-azocan-1-iumylmethyl)phenoxy]propyl]-2-pyridinecarboxamide IUPAC Name: N-[3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]propyl]pyridine-2-carboxamide Traditional Name: N-[3-[3-(azocan-1-ium-1-ylmethyl)phenoxy]propyl]picolinamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC(=CC=C2)OCCCNC(=O)C3=CC=CC=N3

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC(=CC=C2)OCCCNC(=O)C3=CC=CC=N3

InChI

InChI=1S/C23H31N3O2/c27-23(22-12-4-5-13-24-22)25-14-9-17-28-21-11-8-10-20(18-21)19-26-15-6-2-1-3-7-16-26/h4-5,8,10-13,18H,1-3,6-7,9,14-17,19H2,(H,25,27)/p+1