7-chloranyl-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 7-chloro-3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one CAS Name: 7-chloro-3-[2-[(2S)-1-propan-2-yl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 7-chloro-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 7-chloro-3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Formula: C18H25ClN3O+ MolecularWeight: 334.8636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCCC1CCN2C=NC3=C(C2=O)C=CC(=C3)Cl

Isomeric SMILES

CC(C)[NH+]1CCCC[C@H]1CCN2C=NC3=C(C2=O)C=CC(=C3)Cl

InChI

InChI=1S/C18H24ClN3O/c1-13(2)22-9-4-3-5-15(22)8-10-21-12-20-17-11-14(19)6-7-16(17)18(21)23/h6-7,11-13,15H,3-5,8-10H2,1-2H3/p+1/t15-/m0/s1