ethyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-(4-pyridylmethyl)ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C23H30N4O2S/c1-4-26(17-21-10-13-24-14-11-21)18-22-16-25-23(30(28,29)19(2)3)27(22)15-12-20-8-6-5-7-9-20/h5-11,13-14,16,19H,4,12,15,17-18H2,1-3H3/p+1