dimethyl-[(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-3-yl]azanium

Systemtic Name: dimethyl-[(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]pyrrolidin-3-yl]azanium Openeye Name: [(3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidin-3-yl]-dimethyl-ammonium CAS Name: dimethyl-[(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-3-pyrrolidinyl]ammonium IUPAC Name: dimethyl-[(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-yl]azanium Traditional Name: [(3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]pyrrolidin-3-yl]-dimethyl-ammonium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CCC(C3)[NH+](C)C

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CC[C@@H](C3)[NH+](C)C

InChI

InChI=1S/C21H32N4O2S/c1-17(2)28(26,27)21-22-14-20(16-24-12-11-19(15-24)23(3)4)25(21)13-10-18-8-6-5-7-9-18/h5-9,14,17,19H,10-13,15-16H2,1-4H3/p+1/t19-/m0/s1