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

Systemtic Name: 6-ethoxy-4-methyl-2-[4-(3-pyrazol-1-ylpropyl)-1,4-diazepan-4-ium-1-yl]quinazoline Openeye Name: 6-ethoxy-4-methyl-2-[4-(3-pyrazol-1-ylpropyl)-1,4-diazepan-4-ium-1-yl]quinazoline CAS Name: 6-ethoxy-4-methyl-2-[4-[3-(1-pyrazolyl)propyl]-1,4-diazepan-4-ium-1-yl]quinazoline IUPAC Name: 6-ethoxy-4-methyl-2-[4-(3-pyrazol-1-ylpropyl)-1,4-diazepan-4-ium-1-yl]quinazoline Traditional Name: 6-ethoxy-4-methyl-2-[4-(3-pyrazol-1-ylpropyl)-1,4-diazepan-4-ium-1-yl]quinazoline Formula: C22H31N6O+ MolecularWeight: 395.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CCCN4C=CC=N4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[NH+](CC3)CCCN4C=CC=N4

InChI

InChI=1S/C22H30N6O/c1-3-29-19-7-8-21-20(17-19)18(2)24-22(25-21)27-12-5-10-26(15-16-27)11-6-14-28-13-4-9-23-28/h4,7-9,13,17H,3,5-6,10-12,14-16H2,1-2H3/p+1