1-oxidanidyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyridin-1-ium-4-carboxamide

Systemtic Name: 1-oxidanidyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyridin-1-ium-4-carboxamide Openeye Name: 1-oxido-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyridin-1-ium-4-carboxamide CAS Name: 1-oxido-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]-4-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyridin-1-ium-4-carboxamide Traditional Name: 1-oxido-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyridin-1-ium-4-carboxamide Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CC=CC=C3)NC(=O)C4=CC=[N+](C=C4)[O-]

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CC=CC=C3)NC(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C20H18N4O2/c25-20(15-9-11-24(26)12-10-15)23-18-8-4-7-17-16(18)13-21-19(22-17)14-5-2-1-3-6-14/h1-3,5-6,9-13,18H,4,7-8H2,(H,23,25)/t18-/m0/s1