2-(azepan-1-yl)-N-(furan-2-ylmethyl)quinazolin-3-ium-4-amine

Systemtic Name: 2-(azepan-1-yl)-N-(furan-2-ylmethyl)quinazolin-3-ium-4-amine Openeye Name: 2-(azepan-1-yl)-N-(2-furylmethyl)quinazolin-3-ium-4-amine CAS Name: 2-(1-azepanyl)-N-(2-furanylmethyl)-4-quinazolin-3-iumamine IUPAC Name: 2-(azepan-1-yl)-N-(furan-2-ylmethyl)quinazolin-3-ium-4-amine Traditional Name: [2-(azepan-1-yl)quinazolin-3-ium-4-yl]-(2-furfuryl)amine Formula: C19H23N4O+ MolecularWeight: 323.41212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=CO4

Isomeric SMILES

C1CCCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=CO4

InChI

InChI=1S/C19H22N4O/c1-2-6-12-23(11-5-1)19-21-17-10-4-3-9-16(17)18(22-19)20-14-15-8-7-13-24-15/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,20,21,22)/p+1