2-(azocan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-(azocan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-(azocan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-(1-azocan-1-iumylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-(azocan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-(azocan-1-ium-1-ylmethyl)-6,7-dimethoxy-1H-quinazolin-4-one Formula: C18H26N3O3+ MolecularWeight: 332.41734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCCCCC3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)C[NH+]3CCCCCCC3)OC

InChI

InChI=1S/C18H25N3O3/c1-23-15-10-13-14(11-16(15)24-2)19-17(20-18(13)22)12-21-8-6-4-3-5-7-9-21/h10-11H,3-9,12H2,1-2H3,(H,19,20,22)/p+1