3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)-1-(phenylmethyl)pyridin-1-ium chloride

Systemtic Name: 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)-1-(phenylmethyl)pyridin-1-ium chloride Openeye Name: 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)-1-benzyl-pyridin-1-ium chloride CAS Name: 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c][1]benzopyran-6-yl)-1-(phenylmethyl)pyridin-1-ium chloride IUPAC Name: 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)-1-benzylpyridin-1-ium chloride Traditional Name: 3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)-1-benzyl-pyridin-1-ium chloride Formula: C25H30ClNO MolecularWeight: 395.9648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C3=CCCCC3C(O2)C4=C[N+](=CC=C4)CC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CCC2C(C1)C3=CCCCC3C(O2)C4=C[N+](=CC=C4)CC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C25H30NO.ClH/c1-2-9-19(10-3-1)17-26-16-8-11-20(18-26)25-23-14-5-4-12-21(23)22-13-6-7-15-24(22)27-25;/h1-3,8-12,16,18,22-25H,4-7,13-15,17H2;1H/q+1;/p-1