2-[4-[[4-(azepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 2-[4-[[4-(azepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 2-[4-[[4-(azepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-1-yl]phenol CAS Name: 2-[4-[[4-(1-azepanyl)-2-quinazolin-3-iumyl]methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 2-[4-[[4-(azepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 2-[4-[[4-(azepan-1-yl)quinazolin-3-ium-2-yl]methyl]piperazin-4-ium-1-yl]phenol Formula: C25H33N5O+2 MolecularWeight: 419.56242

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=CC=CC=C5O

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C5=CC=CC=C5O

InChI

InChI=1S/C25H31N5O/c31-23-12-6-5-11-22(23)29-17-15-28(16-18-29)19-24-26-21-10-4-3-9-20(21)25(27-24)30-13-7-1-2-8-14-30/h3-6,9-12,31H,1-2,7-8,13-19H2/p+2