N-(cyclopropylmethyl)-4-phenyl-piperidin-4-amine; 4-methylbenzenesulfonic acid

Systemtic Name: N-(cyclopropylmethyl)-4-phenyl-piperidin-4-amine; 4-methylbenzenesulfonic acid Openeye Name: N-(cyclopropylmethyl)-4-phenyl-piperidin-4-amine; 4-methylbenzenesulfonic acid CAS Name: N-(cyclopropylmethyl)-4-phenyl-4-piperidinamine; 4-methylbenzenesulfonic acid IUPAC Name: N-(cyclopropylmethyl)-4-phenylpiperidin-4-amine; 4-methylbenzenesulfonic acid Traditional Name: cyclopropylmethyl-(4-phenyl-4-piperidyl)amine; tosylic acid Formula: C29H38N2O6S2 MolecularWeight: 574.75182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CC1CNC2(CCNCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.C1CC1CNC2(CCNCC2)C3=CC=CC=C3

InChI

InChI=1S/C15H22N2.2C7H8O3S/c1-2-4-14(5-3-1)15(8-10-16-11-9-15)17-12-13-6-7-13;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-5,13,16-17H,6-12H2;2*2-5H,1H3,(H,8,9,10)