2-[(1R)-1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C19H22ClN4OS+ MolecularWeight: 389.92218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C19H21ClN4OS/c1-13(18-21-16-5-3-2-4-15(16)19(25)22-18)24-10-8-23(9-11-24)12-14-6-7-17(20)26-14/h2-7,13H,8-12H2,1H3,(H,21,22,25)/p+1/t13-/m1/s1