N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(5S)-2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CN=C(N=C2C1)C(C)(C)C)NC(=O)C[NH+]3CCCCC3)C

Isomeric SMILES

CC1(C[C@@H](C2=CN=C(N=C2C1)C(C)(C)C)NC(=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C21H34N4O/c1-20(2,3)19-22-13-15-16(11-21(4,5)12-17(15)24-19)23-18(26)14-25-9-7-6-8-10-25/h13,16H,6-12,14H2,1-5H3,(H,23,26)/p+1/t16-/m0/s1