2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline CAS Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethylquinazoline Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,4-diazepan-4-ium-1-yl]-4,6,7-trimethyl-quinazoline Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC5=C(C=C4)OCCO5)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC[NH+](CC3)CC4=CC5=C(C=C4)OCCO5)C)C

InChI

InChI=1S/C25H30N4O2/c1-17-13-21-19(3)26-25(27-22(21)14-18(17)2)29-8-4-7-28(9-10-29)16-20-5-6-23-24(15-20)31-12-11-30-23/h5-6,13-15H,4,7-12,16H2,1-3H3/p+1