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

Systemtic Name: [3-[(1-azanyl-2-phenyl-2-propan-2-yloxy-piperidin-3-yl)methyl]phenyl]-methyl-sulfonyl-azanium; methylbenzene Openeye Name: [3-[(1-amino-2-isopropoxy-2-phenyl-3-piperidyl)methyl]phenyl]-methyl-sulfonyl-ammonium; toluene CAS Name: [3-[(1-amino-2-phenyl-2-propan-2-yloxy-3-piperidinyl)methyl]phenyl]-methyl-sulfonylammonium; toluene IUPAC Name: [3-[(1-amino-2-phenyl-2-propan-2-yloxypiperidin-3-yl)methyl]phenyl]-methyl-sulfonylazanium; toluene Traditional Name: [3-[(1-amino-2-isopropoxy-2-phenyl-3-piperidyl)methyl]phenyl]-methyl-sulfonyl-ammonium; toluene Formula: C29H38N3O3S+ MolecularWeight: 508.69532

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N3O3S.C7H8/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/q+1;