4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[4-(cyclohexylamino)-2-quinazolinyl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[[4-(cyclohexylamino)quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C=O

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C=O

InChI

InChI=1S/C20H27N5O/c26-15-25-12-10-24(11-13-25)14-19-22-18-9-5-4-8-17(18)20(23-19)21-16-6-2-1-3-7-16/h4-5,8-9,15-16H,1-3,6-7,10-14H2,(H,21,22,23)/p+1