benzo[b]pyren-6-ylmethyl(triethyl)azanium chloride

Systemtic Name: benzo[b]pyren-6-ylmethyl(triethyl)azanium chloride Openeye Name: benzo[b]pyren-6-ylmethyl(triethyl)ammonium chloride CAS Name: 6-benzo[b]pyrenylmethyl(triethyl)ammonium chloride IUPAC Name: benzo[b]pyren-6-ylmethyl(triethyl)azanium chloride Traditional Name: benzo[b]pyren-6-ylmethyl(triethyl)ammonium chloride Formula: C27H28ClN MolecularWeight: 401.97092

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51.[Cl-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C5=CC=CC=C51.[Cl-]

InChI

InChI=1S/C27H28N.ClH/c1-4-28(5-2,6-3)18-25-22-13-8-7-12-21(22)23-16-14-19-10-9-11-20-15-17-24(25)27(23)26(19)20;/h7-17H,4-6,18H2,1-3H3;1H/q+1;/p-1