azepan-1-yl-[4-(phenylmethyl)piperidin-4-yl]methanone; 4-methylbenzenesulfonic acid

Systemtic Name: azepan-1-yl-[4-(phenylmethyl)piperidin-4-yl]methanone; 4-methylbenzenesulfonic acid Openeye Name: azepan-1-yl-(4-benzyl-4-piperidyl)methanone; 4-methylbenzenesulfonic acid CAS Name: 1-azepanyl-[4-(phenylmethyl)-4-piperidinyl]methanone; 4-methylbenzenesulfonic acid IUPAC Name: azepan-1-yl-(4-benzylpiperidin-4-yl)methanone; 4-methylbenzenesulfonic acid Traditional Name: azepan-1-yl-(4-benzyl-4-piperidyl)methanone; tosylic acid Formula: C26H36N2O4S MolecularWeight: 472.64004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCCN(CC1)C(=O)C2(CCNCC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CCCN(CC1)C(=O)C2(CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H28N2O.C7H8O3S/c22-18(21-14-6-1-2-7-15-21)19(10-12-20-13-11-19)16-17-8-4-3-5-9-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,8-9,20H,1-2,6-7,10-16H2;2-5H,1H3,(H,8,9,10)