1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium chloride

Systemtic Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium chloride Openeye Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium chloride CAS Name: 1-(6-benzo[b]pyrenylmethyl)pyridin-1-ium chloride IUPAC Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium chloride Traditional Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium chloride Formula: C26H18ClN MolecularWeight: 379.88082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62.[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62.[Cl-]

InChI

InChI=1S/C26H18N.ClH/c1-4-15-27(16-5-1)17-24-21-10-3-2-9-20(21)22-13-11-18-7-6-8-19-12-14-23(24)26(22)25(18)19;/h1-16H,17H2;1H/q+1;/p-1