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

Systemtic Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium Openeye Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium CAS Name: 1-(6-benzo[b]pyrenylmethyl)pyridin-1-ium IUPAC Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium Traditional Name: 1-(benzo[b]pyren-6-ylmethyl)pyridin-1-ium Formula: C26H18N+ MolecularWeight: 344.42782

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H18N/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/q+1