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

Systemtic Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: 3-(1-benzotriazolyl)propyl-[1-[4-[oxo-(3-pyridinylmethylamino)methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(3-pyridylmethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C27H32N7O+ MolecularWeight: 470.58928

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH2+]CCCN2C3=CC=CC=C3N=N2)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1[NH2+]CCCN2C3=CC=CC=C3N=N2)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C27H31N7O/c35-27(30-20-21-5-3-14-28-19-21)22-8-10-24(11-9-22)33-17-12-23(13-18-33)29-15-4-16-34-26-7-2-1-6-25(26)31-32-34/h1-3,5-11,14,19,23,29H,4,12-13,15-18,20H2,(H,30,35)/p+1