(1-ethanoylpiperidin-4-yl)-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: (1-ethanoylpiperidin-4-yl)-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: (1-acetyl-4-piperidyl)-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: (1-acetyl-4-piperidinyl)-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: (1-acetylpiperidin-4-yl)-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: (1-acetyl-4-piperidyl)-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH2+]C2CCCC3=NC(=NC=C23)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH2+][C@H]2CCCC3=NC(=NC=C23)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4O/c1-15(26)25-12-10-17(11-13-25)23-19-8-5-9-20-18(19)14-22-21(24-20)16-6-3-2-4-7-16/h2-4,6-7,14,17,19,23H,5,8-13H2,1H3/p+1/t19-/m0/s1