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

Systemtic Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: methyl-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: (2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(3-pyridylmethyl)ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CN=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=CN=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-18(2)29(27,28)22-24-15-21(17-25(3)16-20-10-7-12-23-14-20)26(22)13-11-19-8-5-4-6-9-19/h4-10,12,14-15,18H,11,13,16-17H2,1-3H3/p+1