1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-ethoxyphenyl)-3,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium-2-ol Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-p-phenetyl-3,5,6,7,8,9-hexahydroimidaz[1,2-a]azepin-4-ium-2-ol Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2(C[N+]3=C(N2C4=CC5=C(C=C4)OCCO5)CCCCC3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2(C[N+]3=C(N2C4=CC5=C(C=C4)OCCO5)CCCCC3)O

InChI

InChI=1S/C24H29N2O4/c1-2-28-20-10-7-18(8-11-20)24(27)17-25-13-5-3-4-6-23(25)26(24)19-9-12-21-22(16-19)30-15-14-29-21/h7-12,16,27H,2-6,13-15,17H2,1H3/q+1