(3S)-3-methyl-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-methyl-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium Openeye Name: (3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-3-methyl-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-methyl-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperidin-1-ium Traditional Name: (3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-3-methyl-piperidin-1-ium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H31N3O2S/c1-17(2)27(25,26)21-22-14-20(16-23-12-7-8-18(3)15-23)24(21)13-11-19-9-5-4-6-10-19/h4-6,9-10,14,17-18H,7-8,11-13,15-16H2,1-3H3/p+1/t18-/m0/s1