3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazole-6-diazonium chloride

Systemtic Name: 3-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazole-6-diazonium chloride Openeye Name: 3-[2-(1-benzyl-4-piperidyl)ethyl]-1,2-benzoxazole-6-diazonium chloride CAS Name: 3-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1,2-benzoxazole-6-diazonium chloride IUPAC Name: 3-[2-(1-benzylpiperidin-4-yl)ethyl]-1,2-benzoxazole-6-diazonium chloride Traditional Name: 3-[2-(1-benzyl-4-piperidyl)ethyl]indoxazene-6-diazonium chloride Formula: C21H23ClN4O MolecularWeight: 382.88652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=NOC3=C2C=CC(=C3)[N+]#N)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CN(CCC1CCC2=NOC3=C2C=CC(=C3)[N+]#N)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H23N4O.ClH/c22-23-18-7-8-19-20(24-26-21(19)14-18)9-6-16-10-12-25(13-11-16)15-17-4-2-1-3-5-17;/h1-5,7-8,14,16H,6,9-13,15H2;1H/q+1;/p-1