(3S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium

Systemtic Name: (3S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Openeye Name: (3S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-3-methoxypiperidin-1-ium IUPAC Name: (3S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Formula: C17H30N3O4S+ MolecularWeight: 372.5028

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCCC(C3)OC

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCC[C@@H](C3)OC

InChI

InChI=1S/C17H29N3O4S/c1-23-9-8-20-15(11-19-7-3-4-16(12-19)24-2)10-18-17(20)25(21,22)13-14-5-6-14/h10,14,16H,3-9,11-13H2,1-2H3/p+1/t16-/m0/s1