4-methylbenzenesulfonic acid; 7-methyl-3-piperidin-4-yl-1H-indole

Systemtic Name: 4-methylbenzenesulfonic acid; 7-methyl-3-piperidin-4-yl-1H-indole Openeye Name: 4-methylbenzenesulfonic acid; 7-methyl-3-(4-piperidyl)-1H-indole CAS Name: 4-methylbenzenesulfonic acid; 7-methyl-3-(4-piperidinyl)-1H-indole IUPAC Name: 4-methylbenzenesulfonic acid; 7-methyl-3-piperidin-4-yl-1H-indole Traditional Name: 7-methyl-3-(4-piperidyl)-1H-indole; tosylic acid Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC2=C1NC=C2C3CCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=CC2=C1NC=C2C3CCNCC3

InChI

InChI=1S/C14H18N2.C7H8O3S/c1-10-3-2-4-12-13(9-16-14(10)12)11-5-7-15-8-6-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,9,11,15-16H,5-8H2,1H3;2-5H,1H3,(H,8,9,10)