5-ethyl-3-(2-methylpiperidin-4-yl)-1H-indole; 4-methylbenzenesulfonic acid

Systemtic Name: 5-ethyl-3-(2-methylpiperidin-4-yl)-1H-indole; 4-methylbenzenesulfonic acid Openeye Name: 5-ethyl-3-(2-methyl-4-piperidyl)-1H-indole; 4-methylbenzenesulfonic acid CAS Name: 5-ethyl-3-(2-methyl-4-piperidinyl)-1H-indole; 4-methylbenzenesulfonic acid IUPAC Name: 5-ethyl-3-(2-methylpiperidin-4-yl)-1H-indole; 4-methylbenzenesulfonic acid Traditional Name: 5-ethyl-3-(2-methyl-4-piperidyl)-1H-indole; tosylic acid Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC=C2C3CCNC(C3)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCC1=CC2=C(C=C1)NC=C2C3CCNC(C3)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H22N2.C7H8O3S/c1-3-12-4-5-16-14(9-12)15(10-18-16)13-6-7-17-11(2)8-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,9-11,13,17-18H,3,6-8H2,1-2H3;2-5H,1H3,(H,8,9,10)