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

Systemtic Name: 7-methyl-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Openeye Name: 3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]-7-methyl-quinazolin-4-one CAS Name: 7-methyl-3-[2-[(2S)-1-propan-2-yl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 7-methyl-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one Traditional Name: 3-[2-[(2S)-1-isopropylpiperidin-1-ium-2-yl]ethyl]-7-methyl-quinazolin-4-one Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C=N2)CCC3CCCC[NH+]3C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C=N2)CC[C@@H]3CCCC[NH+]3C(C)C

InChI

InChI=1S/C19H27N3O/c1-14(2)22-10-5-4-6-16(22)9-11-21-13-20-18-12-15(3)7-8-17(18)19(21)23/h7-8,12-14,16H,4-6,9-11H2,1-3H3/p+1/t16-/m0/s1