(2,5-dimethoxyphenyl)methyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: (2,5-dimethoxyphenyl)methyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium Openeye Name: (2,5-dimethoxyphenyl)methyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]ammonium CAS Name: (2,5-dimethoxyphenyl)methyl-[(4S)-1-(4,7-dimethyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: (2,5-dimethoxyphenyl)methyl-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: (2,5-dimethoxybenzyl)-[(4S)-1-(4,7-dimethylquinazolin-2-yl)azepan-4-yl]ammonium Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2/c1-17-7-9-22-18(2)27-25(28-23(22)14-17)29-12-5-6-20(11-13-29)26-16-19-15-21(30-3)8-10-24(19)31-4/h7-10,14-15,20,26H,5-6,11-13,16H2,1-4H3/p+1/t20-/m0/s1