3-(benzotriazol-1-yl)propyl-[1-[4-(cyclopentylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(cyclopentylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(cyclopentanecarbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: 3-(1-benzotriazolyl)propyl-[1-[4-[[cyclopentyl(oxo)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(cyclopentanecarbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(cyclopentanecarbonylamino)phenyl]-4-piperidyl]ammonium Formula: C26H35N6O+ MolecularWeight: 447.5957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC=C(C=C2)N3CCC(CC3)[NH2+]CCCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H34N6O/c33-26(20-6-1-2-7-20)28-22-10-12-23(13-11-22)31-18-14-21(15-19-31)27-16-5-17-32-25-9-4-3-8-24(25)29-30-32/h3-4,8-13,20-21,27H,1-2,5-7,14-19H2,(H,28,33)/p+1