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

Systemtic Name: cyclopentyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium Openeye Name: cyclopentyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]ammonium CAS Name: cyclopentyl-[(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: cyclopentyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: cyclopentyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]ammonium Formula: C21H31N4+ MolecularWeight: 339.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(CC3)[NH2+]C4CCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](CC3)[NH2+]C4CCCC4)C

InChI

InChI=1S/C21H30N4/c1-15-9-10-19-16(2)22-21(24-20(19)14-15)25-12-5-8-18(11-13-25)23-17-6-3-4-7-17/h9-10,14,17-18,23H,3-8,11-13H2,1-2H3/p+1/t18-/m0/s1