6-ethoxy-4-methyl-2-[4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline

Systemtic Name: 6-ethoxy-4-methyl-2-[4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 6-ethoxy-4-methyl-2-[4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 6-ethoxy-4-methyl-2-[4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 6-ethoxy-4-methyl-2-[4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 6-ethoxy-4-methyl-2-[4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=CC=CN4C5=CN=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CC4=CC=CN4C5=CN=CC=C5

InChI

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