[2-(1,3-benzodioxol-5-yl)-3-cyano-2-methyl-oxan-3-yl]-(phenylmethyl)azanium

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-3-cyano-2-methyl-oxan-3-yl]-(phenylmethyl)azanium Openeye Name: [2-(1,3-benzodioxol-5-yl)-3-cyano-2-methyl-tetrahydropyran-3-yl]-benzyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-yl)-3-cyano-2-methyl-3-oxanyl]-(phenylmethyl)ammonium IUPAC Name: [2-(1,3-benzodioxol-5-yl)-3-cyano-2-methyloxan-3-yl]-benzylazanium Traditional Name: [2-(1,3-benzodioxol-5-yl)-3-cyano-2-methyl-tetrahydropyran-3-yl]-benzyl-ammonium Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCCO1)(C#N)[NH2+]CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1(C(CCCO1)(C#N)[NH2+]CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O3/c1-20(17-8-9-18-19(12-17)25-15-24-18)21(14-22,10-5-11-26-20)23-13-16-6-3-2-4-7-16/h2-4,6-9,12,23H,5,10-11,13,15H2,1H3/p+1