N-(benzimidazol-1-ylmethyl)-1-(heptoxymethyl)pyridin-1-ium-3-amine chloride

Systemtic Name: N-(benzimidazol-1-ylmethyl)-1-(heptoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzimidazol-1-ylmethyl)-1-(heptoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzimidazolylmethyl)-1-(heptoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzimidazol-1-ylmethyl)-1-(heptoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzimidazol-1-ylmethyl-[1-(heptoxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C21H29ClN4O MolecularWeight: 388.93416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC[N+]1=CC=CC(=C1)NCN2C=NC3=CC=CC=C32.[Cl-]

Isomeric SMILES

CCCCCCCOC[N+]1=CC=CC(=C1)NCN2C=NC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C21H29N4O.ClH/c1-2-3-4-5-8-14-26-18-24-13-9-10-19(15-24)22-16-25-17-23-20-11-6-7-12-21(20)25;/h6-7,9-13,15,17,22H,2-5,8,14,16,18H2,1H3;1H/q+1;/p-1