1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[[3-(3-methoxypropyl)-2-methylsulfonylimidazol-4-yl]methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-[[2-mesyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-4-(2-pyridylmethyl)piperazin-4-ium Formula: C19H30N5O3S+ MolecularWeight: 408.5382

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C)CN2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C)CN2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C19H29N5O3S/c1-27-13-5-8-24-18(14-21-19(24)28(2,25)26)16-23-11-9-22(10-12-23)15-17-6-3-4-7-20-17/h3-4,6-7,14H,5,8-13,15-16H2,1-2H3/p+1