2-[4-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[[2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C20H33N6O3S+ MolecularWeight: 437.57942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H32N6O3S/c1-17(2)5-14-30(27,28)20-23-15-18(26(20)12-13-29-3)16-24-8-10-25(11-9-24)19-21-6-4-7-22-19/h4,6-7,15,17H,5,8-14,16H2,1-3H3/p+1