4-(4-ethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-amine

Systemtic Name: 4-(4-ethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-amine Openeye Name: 4-(4-ethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-amine CAS Name: 4-(4-ethylphenyl)-5-(1-pyrrolidin-1-iumylmethyl)-2-thiazolamine IUPAC Name: 4-(4-ethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-amine Traditional Name: [4-(4-ethylphenyl)-5-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]amine Formula: C16H22N3S+ MolecularWeight: 288.43098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=N2)N)C[NH+]3CCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=N2)N)C[NH+]3CCCC3

InChI

InChI=1S/C16H21N3S/c1-2-12-5-7-13(8-6-12)15-14(20-16(17)18-15)11-19-9-3-4-10-19/h5-8H,2-4,9-11H2,1H3,(H2,17,18)/p+1