1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-4-isopropyl-piperazin-4-ium CAS Name: 1-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-4-isopropyl-piperazin-4-ium Formula: C21H41N4O2S+ MolecularWeight: 413.64084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN2CC[NH+](CC2)C(C)C

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN2CC[NH+](CC2)C(C)C

InChI

InChI=1S/C21H40N4O2S/c1-6-7-10-25-20(17-23-11-13-24(14-12-23)19(4)5)16-22-21(25)28(26,27)15-8-9-18(2)3/h16,18-19H,6-15,17H2,1-5H3/p+1