3-(benzotriazol-1-yl)propyl-[1-[3-[(2-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]azanium

Systemtic Name: 3-(benzotriazol-1-yl)propyl-[1-[3-[(2-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]azanium Openeye Name: 3-(benzotriazol-1-yl)propyl-[1-[3-[(2-methoxybenzoyl)amino]phenyl]-4-piperidyl]ammonium CAS Name: 3-(1-benzotriazolyl)propyl-[1-[3-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 3-(benzotriazol-1-yl)propyl-[1-[3-[(2-methoxybenzoyl)amino]phenyl]piperidin-4-yl]azanium Traditional Name: 3-(benzotriazol-1-yl)propyl-[1-[3-(o-anisoylamino)phenyl]-4-piperidyl]ammonium Formula: C28H33N6O2+ MolecularWeight: 485.60062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH2+]CCCN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH2+]CCCN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H32N6O2/c1-36-27-13-5-2-10-24(27)28(35)30-22-8-6-9-23(20-22)33-18-14-21(15-19-33)29-16-7-17-34-26-12-4-3-11-25(26)31-32-34/h2-6,8-13,20-21,29H,7,14-19H2,1H3,(H,30,35)/p+1