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

Systemtic Name: 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine; sulfuric acid; hydrate Openeye Name: 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentyl-guanidine; sulfuric acid; hydrate CAS Name: 1-[[(Z)-(5-methoxy-3-indolylidene)methyl]amino]-2-pentylguanidine; sulfuric acid; hydrate IUPAC Name: 1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]-2-pentylguanidine; sulfuric acid; hydrate Traditional Name: 2-amyl-1-[[(Z)-(5-methoxyindol-3-ylidene)methyl]amino]guanidine; sulfuric acid; hydrate Formula: C16H27N5O6S MolecularWeight: 417.48048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC.O.OS(=O)(=O)O

Isomeric SMILES

CCCCCN=C(N)NN/C=C/1\C=NC2=C1C=C(C=C2)OC.O.OS(=O)(=O)O

InChI

InChI=1S/C16H23N5O.H2O4S.H2O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;1-5(2,3)4;/h6-7,9-11,20H,3-5,8H2,1-2H3,(H3,17,18,21);(H2,1,2,3,4);1H2/b12-11+;;