(2S,6S)-4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-2,6-dimethyl-morpholin-4-ium

Systemtic Name: (2S,6S)-4-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]-2,6-dimethyl-morpholin-4-ium Openeye Name: (2S,6S)-4-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]-2,6-dimethyl-morpholin-4-ium CAS Name: (2S,6S)-4-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]-2,6-dimethylmorpholin-4-ium IUPAC Name: (2S,6S)-4-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]-2,6-dimethylmorpholin-4-ium Traditional Name: (2S,6S)-4-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]-2,6-dimethyl-morpholin-4-ium Formula: C21H33N4O3S+ MolecularWeight: 421.57672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4CC(OC(C4)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1C[NH+]4C[C@@H](O[C@H](C4)C)C

InChI

InChI=1S/C21H32N4O3S/c1-4-25-20-9-8-18(29(26,27)24-10-6-5-7-11-24)12-19(20)22-21(25)15-23-13-16(2)28-17(3)14-23/h8-9,12,16-17H,4-7,10-11,13-15H2,1-3H3/p+1/t16-,17-/m0/s1