7-chloranyl-4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]quinazoline

Systemtic Name: 7-chloranyl-4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]quinazoline Openeye Name: 7-chloro-4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]quinazoline CAS Name: 7-chloro-4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]quinazoline IUPAC Name: 7-chloro-4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]quinazoline Traditional Name: 7-chloro-4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]quinazoline Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=NC=NC5=C4C=CC(=C5)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C4=NC=NC5=C4C=CC(=C5)Cl

InChI

InChI=1S/C21H21ClN4O/c22-17-2-3-18-19(12-17)23-14-24-21(18)26-8-6-25(7-9-26)13-15-1-4-20-16(11-15)5-10-27-20/h1-4,11-12,14H,5-10,13H2/p+1