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

Systemtic Name: [3-[(1-azanyl-2-methoxy-2-phenyl-piperidin-3-yl)methyl]phenyl]-methyl-sulfonyl-azanium; methylbenzene Openeye Name: [3-[(1-amino-2-methoxy-2-phenyl-3-piperidyl)methyl]phenyl]-methyl-sulfonyl-ammonium; toluene CAS Name: [3-[(1-amino-2-methoxy-2-phenyl-3-piperidinyl)methyl]phenyl]-methyl-sulfonylammonium; toluene IUPAC Name: [3-[(1-amino-2-methoxy-2-phenylpiperidin-3-yl)methyl]phenyl]-methyl-sulfonylazanium; toluene Traditional Name: [3-[(1-amino-2-methoxy-2-phenyl-3-piperidyl)methyl]phenyl]-methyl-sulfonyl-ammonium; toluene Formula: C27H34N3O3S+ MolecularWeight: 480.64216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C[N+](=S(=O)=O)C1=CC=CC(=C1)CC2CCCN(C2(C3=CC=CC=C3)OC)N

Isomeric SMILES

CC1=CC=CC=C1.C[N+](=S(=O)=O)C1=CC=CC(=C1)CC2CCCN(C2(C3=CC=CC=C3)OC)N

InChI

InChI=1S/C20H26N3O3S.C7H8/c1-22(27(24)25)19-12-6-8-16(15-19)14-18-11-7-13-23(21)20(18,26-2)17-9-4-3-5-10-17;1-7-5-3-2-4-6-7/h3-6,8-10,12,15,18H,7,11,13-14,21H2,1-2H3;2-6H,1H3/q+1;