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

Systemtic Name: 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[[2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-1-ium CAS Name: 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-[[2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperazin-1-ium Formula: C23H37N4O3S+ MolecularWeight: 449.62988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)CN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)CN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H36N4O3S/c1-20(2)9-16-31(28,29)23-24-17-22(27(23)14-15-30-3)19-26-12-10-25(11-13-26)18-21-7-5-4-6-8-21/h4-8,17,20H,9-16,18-19H2,1-3H3/p+1