N,N-diethyl-2-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-1,2,3-triazol-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-1,2,3-triazol-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]triazol-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]-1-triazolyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]triazol-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]triazol-1-yl]acetamide Formula: C21H31N6O3+ MolecularWeight: 415.50924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CN1C=C(N=N1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CN1C=C(N=N1)C(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H30N6O3/c1-3-25(4-2)20(28)17-27-16-19(22-23-27)21(29)26-12-10-24(11-13-26)14-15-30-18-8-6-5-7-9-18/h5-9,16H,3-4,10-15,17H2,1-2H3/p+1