1-(4-methoxyphenyl)sulfonyl-4-[3-(1,2,4-triazol-1-yl)propyl]piperazin-4-ium

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(1,2,4-triazol-1-yl)propyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(1,2,4-triazol-1-yl)propyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(1,2,4-triazol-1-yl)propyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(1,2,4-triazol-1-yl)propyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-[3-(1,2,4-triazol-1-yl)propyl]piperazin-4-ium Formula: C16H24N5O3S+ MolecularWeight: 366.45846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCN3C=NC=N3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCCN3C=NC=N3

InChI

InChI=1S/C16H23N5O3S/c1-24-15-3-5-16(6-4-15)25(22,23)21-11-9-19(10-12-21)7-2-8-20-14-17-13-18-20/h3-6,13-14H,2,7-12H2,1H3/p+1