N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]-1-[(1R)-1-phenylethyl]-4-triazolecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-1-[(1R)-1-phenylethyl]triazole-4-carboxamide Formula: C18H27N6O+ MolecularWeight: 343.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=C(N=N2)C(=O)NCCN3CC[NH+](CC3)C

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C=C(N=N2)C(=O)NCCN3CC[NH+](CC3)C

InChI

InChI=1S/C18H26N6O/c1-15(16-6-4-3-5-7-16)24-14-17(20-21-24)18(25)19-8-9-23-12-10-22(2)11-13-23/h3-7,14-15H,8-13H2,1-2H3,(H,19,25)/p+1/t15-/m1/s1