4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-2-quinazolinyl]methyl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methylquinazolin-2-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[[4-(1,3-benzodioxol-5-ylamino)-8-methyl-quinazolin-2-yl]methyl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C[NH+]5CCCN(CC5)C=O

Isomeric SMILES

CC1=CC=CC2=C1N=C(N=C2NC3=CC4=C(C=C3)OCO4)C[NH+]5CCCN(CC5)C=O

InChI

InChI=1S/C23H25N5O3/c1-16-4-2-5-18-22(16)25-21(13-27-8-3-9-28(14-29)11-10-27)26-23(18)24-17-6-7-19-20(12-17)31-15-30-19/h2,4-7,12,14H,3,8-11,13,15H2,1H3,(H,24,25,26)/p+1