3-(benzotriazol-1-yl)propyl-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium

Systemtic Name: 3-(benzotriazol-1-yl)propyl-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]azanium Openeye Name: 3-(benzotriazol-1-yl)propyl-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium CAS Name: 3-(1-benzotriazolyl)propyl-[(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]ammonium IUPAC Name: 3-(benzotriazol-1-yl)propyl-[(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]azanium Traditional Name: 3-(benzotriazol-1-yl)propyl-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]ammonium Formula: C26H34N7O+ MolecularWeight: 460.59446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH2+]CCCN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH2+]CCCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H33N7O/c1-3-34-21-11-12-23-22(18-21)19(2)28-26(29-23)32-15-6-8-20(13-17-32)27-14-7-16-33-25-10-5-4-9-24(25)30-31-33/h4-5,9-12,18,20,27H,3,6-8,13-17H2,1-2H3/p+1/t20-/m0/s1