[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(phenylmethyl)azanium

Systemtic Name: [(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]ammonium CAS Name: [(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: benzyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]ammonium Formula: C23H29N4+ MolecularWeight: 361.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)[NH2+]CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](CC3)[NH2+]CC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N4/c1-17-10-11-21-18(2)25-23(26-22(21)15-17)27-13-6-9-20(12-14-27)24-16-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,20,24H,6,9,12-14,16H2,1-2H3/p+1/t20-/m0/s1