4-(benzotriazol-1-ylmethyl)-N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-methyl-benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-methyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-methylbenzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N-methyl-benzamide Formula: C28H31N6O2+ MolecularWeight: 483.58474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CN(CC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H30N6O2/c1-31(21-27(35)33-17-15-32(16-18-33)19-22-7-3-2-4-8-22)28(36)24-13-11-23(12-14-24)20-34-26-10-6-5-9-25(26)29-30-34/h2-14H,15-21H2,1H3/p+1