[4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(1-phenethyl-1,2,3-triazol-4-yl)methanone

Systemtic Name: [4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(1-phenethyl-1,2,3-triazol-4-yl)methanone Openeye Name: [4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(1-phenethyltriazol-4-yl)methanone CAS Name: [4-[(1-methyl-2-imidazolyl)methyl]-1-piperazin-4-iumyl]-(1-phenethyl-4-triazolyl)methanone IUPAC Name: [4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(1-phenethyltriazol-4-yl)methanone Traditional Name: [4-[(1-methylimidazol-2-yl)methyl]piperazin-4-ium-1-yl]-(1-phenethyltriazol-4-yl)methanone Formula: C20H26N7O+ MolecularWeight: 380.46674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCN(CC2)C(=O)C3=CN(N=N3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCN(CC2)C(=O)C3=CN(N=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H25N7O/c1-24-10-8-21-19(24)16-25-11-13-26(14-12-25)20(28)18-15-27(23-22-18)9-7-17-5-3-2-4-6-17/h2-6,8,10,15H,7,9,11-14,16H2,1H3/p+1