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

Systemtic Name: 6-ethoxy-4-methyl-2-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 6-ethoxy-4-methyl-2-[4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 6-ethoxy-4-methyl-2-[4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 6-ethoxy-4-methyl-2-[4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 6-ethoxy-4-methyl-2-[4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C26H31N6O+ MolecularWeight: 443.56394

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=CN4C5=CC=CC=N5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C26H30N6O/c1-3-33-22-10-11-24-23(18-22)20(2)28-26(29-24)31-14-7-13-30(16-17-31)19-21-8-6-15-32(21)25-9-4-5-12-27-25/h4-6,8-12,15,18H,3,7,13-14,16-17,19H2,1-2H3/p+1