7,8-dimethyl-3-[2-[(2S)-1-propan-2-ylpiperidin-1-ium-2-yl]ethyl]quinazolin-4-one

Systemtic Name: 7,8-dimethyl-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]-7,8-dimethyl-quinazolin-4-one CAS Name: 7,8-dimethyl-3-[2-[(2S)-1-propan-2-yl-2-piperidin-1-iumyl]ethyl]-4-quinazolinone IUPAC Name: 7,8-dimethyl-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]-7,8-dimethyl-quinazolin-4-one Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C=N2)CCC3CCCC[NH+]3C(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C=N2)CC[C@@H]3CCCC[NH+]3C(C)C)C

InChI

InChI=1S/C20H29N3O/c1-14(2)23-11-6-5-7-17(23)10-12-22-13-21-19-16(4)15(3)8-9-18(19)20(22)24/h8-9,13-14,17H,5-7,10-12H2,1-4H3/p+1/t17-/m0/s1