N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methyl-propan-1-amine; 4-methylbenzenesulfonic acid

Systemtic Name: N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methyl-propan-1-amine; 4-methylbenzenesulfonic acid Openeye Name: N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methyl-propan-1-amine; 4-methylbenzenesulfonic acid CAS Name: N-(5-benzo[b][1]benzoxepinylmethyl)-N-methyl-1-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: N-(benzo[b][1]benzoxepin-5-ylmethyl)-N-methylpropan-1-amine; 4-methylbenzenesulfonic acid Traditional Name: benzo[b][1]benzoxepin-5-ylmethyl-methyl-propyl-amine; tosylic acid Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)CC1=CC2=CC=CC=C2OC3=CC=CC=C31.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCN(C)CC1=CC2=CC=CC=C2OC3=CC=CC=C31.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C19H21NO.C7H8O3S/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19;1-6-2-4-7(5-3-6)11(8,9)10/h4-11,13H,3,12,14H2,1-2H3;2-5H,1H3,(H,8,9,10)