[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-ethylbenzotriazol-5-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(1-ethylbenzotriazol-5-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-ethylbenzotriazol-5-yl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(1-ethyl-5-benzotriazolyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-ethylbenzotriazol-5-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(1-ethylbenzotriazol-5-yl)methanone Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)N=N1

InChI

InChI=1S/C26H27N5O/c1-2-31-24-14-13-22(19-23(24)27-28-31)26(32)30-17-15-29(16-18-30)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25H,2,15-18H2,1H3/p+1