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

Systemtic Name: (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (1-ethylbenzotriazol-5-yl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (1-ethyl-5-benzotriazolyl)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-ethylbenzotriazol-5-yl)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (1-ethylbenzotriazol-5-yl)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]methanone Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54)N=N1

InChI

InChI=1S/C24H25N5O/c1-2-29-23-11-10-19(16-22(23)25-26-29)24(30)28-14-12-27(13-15-28)17-20-8-5-7-18-6-3-4-9-21(18)20/h3-11,16H,2,12-15,17H2,1H3/p+1