1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine

Systemtic Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine Openeye Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine CAS Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-4-(6-methyl-2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine Traditional Name: 1-[[2-esyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(6-methylpyridin-1-ium-2-yl)piperazine Formula: C19H30N5O3S+ MolecularWeight: 408.5382

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCOC)CN2CCN(CC2)C3=CC=CC(=[NH+]3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCOC)CN2CCN(CC2)C3=CC=CC(=[NH+]3)C

InChI

InChI=1S/C19H29N5O3S/c1-4-28(25,26)19-20-14-17(24(19)12-13-27-3)15-22-8-10-23(11-9-22)18-7-5-6-16(2)21-18/h5-7,14H,4,8-13,15H2,1-3H3/p+1