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

Systemtic Name: [4-(benzotriazol-1-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-(1-benzotriazolylmethyl)-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(benzotriazol-1-ylmethyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O/c24-18(15-6-2-1-3-7-15)22-12-10-21(11-13-22)14-23-17-9-5-4-8-16(17)19-20-23/h1-9H,10-14H2/p+1