(3S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-propoxy-piperidin-1-ium

Systemtic Name: (3S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-propoxy-piperidin-1-ium Openeye Name: (3S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-propoxy-piperidin-1-ium CAS Name: (3S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)-4-imidazolyl]methyl]-3-propoxypiperidin-1-ium IUPAC Name: (3S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-propoxypiperidin-1-ium Traditional Name: (3S)-1-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-3-propoxy-piperidin-1-ium Formula: C21H38N3O3S+ MolecularWeight: 412.60972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+]3CCCC(C3)OCCC

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC2CCC2)C[NH+]3CCC[C@@H](C3)OCCC

InChI

InChI=1S/C21H37N3O3S/c1-3-5-12-24-19(15-23-11-7-10-20(16-23)27-13-4-2)14-22-21(24)28(25,26)17-18-8-6-9-18/h14,18,20H,3-13,15-17H2,1-2H3/p+1/t20-/m0/s1