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

Systemtic Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(dimethylcarbamoyl)phenyl]piperidin-4-yl]azanium Openeye Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(dimethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: 3-(1-benzotriazolyl)propyl-[1-[4-[dimethylamino(oxo)methyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(dimethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: 3-(benzotriazol-1-yl)propyl-[1-[4-(dimethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)N2CCC(CC2)[NH2+]CCCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)N2CCC(CC2)[NH2+]CCCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H30N6O/c1-27(2)23(30)18-8-10-20(11-9-18)28-16-12-19(13-17-28)24-14-5-15-29-22-7-4-3-6-21(22)25-26-29/h3-4,6-11,19,24H,5,12-17H2,1-2H3/p+1