N'-(4-butan-2-ylphenyl)-2,3-dihydroindole-1-carboximidamide; methanesulfonic acid

Systemtic Name: N'-(4-butan-2-ylphenyl)-2,3-dihydroindole-1-carboximidamide; methanesulfonic acid Openeye Name: methanesulfonic acid; N'-(4-sec-butylphenyl)indoline-1-carboxamidine CAS Name: N'-(4-butan-2-ylphenyl)-2,3-dihydroindole-1-carboximidamide; methanesulfonic acid IUPAC Name: N'-(4-butan-2-ylphenyl)-2,3-dihydroindole-1-carboximidamide; methanesulfonic acid Traditional Name: mesylic acid; N'-(4-sec-butylphenyl)indoline-1-carboxamidine Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C(N)N2CCC3=CC=CC=C32.CS(=O)(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N=C(N)N2CCC3=CC=CC=C32.CS(=O)(=O)O

InChI

InChI=1S/C19H23N3.CH4O3S/c1-3-14(2)15-8-10-17(11-9-15)21-19(20)22-13-12-16-6-4-5-7-18(16)22;1-5(2,3)4/h4-11,14H,3,12-13H2,1-2H3,(H2,20,21);1H3,(H,2,3,4)