(2S)-4-methyl-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]-2-phenyl-piperazin-4-ium

Systemtic Name: (2S)-4-methyl-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]-2-phenyl-piperazin-4-ium Openeye Name: (2S)-4-methyl-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]-2-phenyl-piperazin-4-ium CAS Name: (2S)-4-methyl-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]-2-phenylpiperazin-4-ium IUPAC Name: (2S)-4-methyl-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]-2-phenylpiperazin-4-ium Traditional Name: (2S)-4-methyl-1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]-2-phenyl-piperazin-4-ium Formula: C17H26N5+ MolecularWeight: 300.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)CCCN2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=NC(=NN1)CCCN2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C17H25N5/c1-14-18-17(20-19-14)9-6-10-22-12-11-21(2)13-16(22)15-7-4-3-5-8-15/h3-5,7-8,16H,6,9-13H2,1-2H3,(H,18,19,20)/p+1/t16-/m1/s1