[4-(benzotriazol-1-ylmethyl)phenyl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C26H27N5O/c1-20-6-2-3-7-23(20)19-29-14-16-30(17-15-29)26(32)22-12-10-21(11-13-22)18-31-25-9-5-4-8-24(25)27-28-31/h2-13H,14-19H2,1H3/p+1