N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[(2S)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[(2S)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[(2S)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[(2S)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-[(2S)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide Formula: C24H32N5O2+ MolecularWeight: 422.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1CCCC2)CNC(=O)CC3C(=O)NCC[NH+]3CCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC2=C1CCCC2)CNC(=O)C[C@H]3C(=O)NCC[NH+]3CCC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O2/c1-17-19-9-5-6-10-20(19)28-22(27-17)16-26-23(30)15-21-24(31)25-12-14-29(21)13-11-18-7-3-2-4-8-18/h2-4,7-8,21H,5-6,9-16H2,1H3,(H,25,31)(H,26,30)/p+1/t21-/m0/s1