6-(3-cyclopentyloxy-4-methoxy-phenyl)-1-oxidanidyl-7,8-dihydro-5H-quinazolin-1-ium-6-carbonitrile

Systemtic Name: 6-(3-cyclopentyloxy-4-methoxy-phenyl)-1-oxidanidyl-7,8-dihydro-5H-quinazolin-1-ium-6-carbonitrile Openeye Name: 6-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-oxido-7,8-dihydro-5H-quinazolin-1-ium-6-carbonitrile CAS Name: 6-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxido-7,8-dihydro-5H-quinazolin-1-ium-6-carbonitrile IUPAC Name: 6-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxido-7,8-dihydro-5H-quinazolin-1-ium-6-carbonitrile Traditional Name: 6-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-oxido-7,8-dihydro-5H-quinazolin-1-ium-6-carbonitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC3=[N+](C=NC=C3C2)[O-])C#N)OC4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC3=[N+](C=NC=C3C2)[O-])C#N)OC4CCCC4

InChI

InChI=1S/C21H23N3O3/c1-26-19-7-6-16(10-20(19)27-17-4-2-3-5-17)21(13-22)9-8-18-15(11-21)12-23-14-24(18)25/h6-7,10,12,14,17H,2-5,8-9,11H2,1H3