[3-[(1-azanyl-2-phenyl-2-propan-2-yloxy-piperidin-3-yl)methyl]phenyl]-methyl-sulfonyl-azanium; methylbenzene; dihydrochloride

Systemtic Name: [3-[(1-azanyl-2-phenyl-2-propan-2-yloxy-piperidin-3-yl)methyl]phenyl]-methyl-sulfonyl-azanium; methylbenzene; dihydrochloride Openeye Name: [3-[(1-amino-2-isopropoxy-2-phenyl-3-piperidyl)methyl]phenyl]-methyl-sulfonyl-ammonium; toluene; dihydrochloride CAS Name: [3-[(1-amino-2-phenyl-2-propan-2-yloxy-3-piperidinyl)methyl]phenyl]-methyl-sulfonylammonium; toluene; dihydrochloride IUPAC Name: [3-[(1-amino-2-phenyl-2-propan-2-yloxypiperidin-3-yl)methyl]phenyl]-methyl-sulfonylazanium; toluene; dihydrochloride Traditional Name: [3-[(1-amino-2-isopropoxy-2-phenyl-3-piperidyl)methyl]phenyl]-methyl-sulfonyl-ammonium; toluene; dihydrochloride Formula: C29H40Cl2N3O3S+ MolecularWeight: 581.6172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(C)OC1(C(CCCN1N)CC2=CC(=CC=C2)[N+](=S(=O)=O)C)C3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CC1=CC=CC=C1.CC(C)OC1(C(CCCN1N)CC2=CC(=CC=C2)[N+](=S(=O)=O)C)C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C22H30N3O3S.C7H8.2ClH/c1-17(2)28-22(19-10-5-4-6-11-19)20(12-8-14-25(22)23)15-18-9-7-13-21(16-18)24(3)29(26)27;1-7-5-3-2-4-6-7;;/h4-7,9-11,13,16-17,20H,8,12,14-15,23H2,1-3H3;2-6H,1H3;2*1H/q+1;;;