4-(3-chlorophenyl)-1-ethyl-1-[3-(1,2,4-triazol-1-yl)propyl]piperazin-1-ium

Systemtic Name: 4-(3-chlorophenyl)-1-ethyl-1-[3-(1,2,4-triazol-1-yl)propyl]piperazin-1-ium Openeye Name: 4-(3-chlorophenyl)-1-ethyl-1-[3-(1,2,4-triazol-1-yl)propyl]piperazin-1-ium CAS Name: 4-(3-chlorophenyl)-1-ethyl-1-[3-(1,2,4-triazol-1-yl)propyl]piperazin-1-ium IUPAC Name: 4-(3-chlorophenyl)-1-ethyl-1-[3-(1,2,4-triazol-1-yl)propyl]piperazin-1-ium Traditional Name: 4-(3-chlorophenyl)-1-ethyl-1-[3-(1,2,4-triazol-1-yl)propyl]piperazin-1-ium Formula: C17H25ClN5+ MolecularWeight: 334.8669

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C2=CC(=CC=C2)Cl)CCCN3C=NC=N3

Isomeric SMILES

CC[N+]1(CCN(CC1)C2=CC(=CC=C2)Cl)CCCN3C=NC=N3

InChI

InChI=1S/C17H25ClN5/c1-2-23(10-4-7-22-15-19-14-20-22)11-8-21(9-12-23)17-6-3-5-16(18)13-17/h3,5-6,13-15H,2,4,7-12H2,1H3/q+1