6-ethoxy-4-methyl-2-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline

Systemtic Name: 6-ethoxy-4-methyl-2-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 6-ethoxy-4-methyl-2-[4-[(5-methyl-2-furyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 6-ethoxy-4-methyl-2-[4-[(5-methyl-2-furanyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 6-ethoxy-4-methyl-2-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 6-ethoxy-4-methyl-2-[4-[(5-methyl-2-furyl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C22H29N4O2+ MolecularWeight: 381.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=CC=C(O4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=CC=C(O4)C

InChI

InChI=1S/C22H28N4O2/c1-4-27-18-8-9-21-20(14-18)17(3)23-22(24-21)26-11-5-10-25(12-13-26)15-19-7-6-16(2)28-19/h6-9,14H,4-5,10-13,15H2,1-3H3/p+1