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

Systemtic Name: 6-ethoxy-2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline Openeye Name: 6-ethoxy-2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline CAS Name: 6-ethoxy-2-[4-[[1-(4-methoxyphenyl)-2-imidazolyl]methyl]-1,4-diazepan-4-ium-1-yl]-4-methylquinazoline IUPAC Name: 6-ethoxy-2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]-4-methylquinazoline Traditional Name: 6-ethoxy-2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]-4-methyl-quinazoline Formula: C27H33N6O2+ MolecularWeight: 473.58992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O2/c1-4-35-23-10-11-25-24(18-23)20(2)29-27(30-25)32-14-5-13-31(16-17-32)19-26-28-12-15-33(26)21-6-8-22(34-3)9-7-21/h6-12,15,18H,4-5,13-14,16-17,19H2,1-3H3/p+1