[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(1H-benzimidazol-2-ylmethyl)azanium

Systemtic Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(1H-benzimidazol-2-ylmethyl)azanium Openeye Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(1H-benzimidazol-2-ylmethyl)ammonium CAS Name: [2-(1-azocanyl)-3-pyridin-1-iumyl]methyl-(1H-benzimidazol-2-ylmethyl)ammonium IUPAC Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(1H-benzimidazol-2-ylmethyl)azanium Traditional Name: [2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl-(1H-benzimidazol-2-ylmethyl)ammonium Formula: C21H29N5+2 MolecularWeight: 351.48846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H27N5/c1-2-6-13-26(14-7-3-1)21-17(9-8-12-23-21)15-22-16-20-24-18-10-4-5-11-19(18)25-20/h4-5,8-12,22H,1-3,6-7,13-16H2,(H,24,25)/p+2