1-azanyl-N,N-diethyl-pyridin-1-ium-3-carboxamide; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 1-azanyl-N,N-diethyl-pyridin-1-ium-3-carboxamide; 2,4,6-trimethylbenzenesulfonate Openeye Name: 1-amino-N,N-diethyl-pyridin-1-ium-3-carboxamide; 2,4,6-trimethylbenzenesulfonate CAS Name: 1-amino-N,N-diethyl-3-pyridin-1-iumcarboxamide; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 1-amino-N,N-diethylpyridin-1-ium-3-carboxamide; 2,4,6-trimethylbenzenesulfonate Traditional Name: 1-amino-N,N-diethyl-pyridin-1-ium-3-carboxamide; 2,4,6-trimethylbesylate Formula: C19H27N3O4S MolecularWeight: 393.50038

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C[N+](=CC=C1)N.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

Isomeric SMILES

CCN(CC)C(=O)C1=C[N+](=CC=C1)N.CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C

InChI

InChI=1S/C10H16N3O.C9H12O3S/c1-3-12(4-2)10(14)9-6-5-7-13(11)8-9;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h5-8H,3-4,11H2,1-2H3;4-5H,1-3H3,(H,10,11,12)/q+1;/p-1