1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine; 4-methylbenzenesulfonic acid Openeye Name: 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine; 4-methylbenzenesulfonic acid CAS Name: 1-[[(Z)-(5-methoxy-3-indolylidene)methyl]amino]-2-pentylguanidine; 4-methylbenzenesulfonic acid IUPAC Name: 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine; 4-methylbenzenesulfonic acid Traditional Name: 2-amyl-1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]guanidine; tosylic acid Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCN=C(N)NN/C=C/1\C=NC2=C1C=C(C=C2)OC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C16H23N5O.C7H8O3S/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,9-11,20H,3-5,8H2,1-2H3,(H3,17,18,21);2-5H,1H3,(H,8,9,10)/b12-11+;