N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-4-[(4-oxo-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-[2-(4-tert-butyl-2,6-dimethyl-phenyl)ethyl]-4-[(4-keto-1H-quinazolin-2-yl)methyl]piperazin-4-ium-1-carboxamide Formula: C28H38N5O2+ MolecularWeight: 476.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CCNC(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CCNC(=O)N2CC[NH+](CC2)CC3=NC(=O)C4=CC=CC=C4N3)C)C(C)(C)C

InChI

InChI=1S/C28H37N5O2/c1-19-16-21(28(3,4)5)17-20(2)22(19)10-11-29-27(35)33-14-12-32(13-15-33)18-25-30-24-9-7-6-8-23(24)26(34)31-25/h6-9,16-17H,10-15,18H2,1-5H3,(H,29,35)(H,30,31,34)/p+1