4-chloranyl-N,N-dimethyl-5-[[(3S)-3-phenylazanylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine

Systemtic Name: 4-chloranyl-N,N-dimethyl-5-[[(3S)-3-phenylazanylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-amine Openeye Name: 5-[[(3S)-3-anilinopiperidin-1-ium-1-yl]methyl]-4-chloro-N,N-dimethyl-thiazol-2-amine CAS Name: 5-[[(3S)-3-anilino-1-piperidin-1-iumyl]methyl]-4-chloro-N,N-dimethyl-2-thiazolamine IUPAC Name: 5-[[(3S)-3-anilinopiperidin-1-ium-1-yl]methyl]-4-chloro-N,N-dimethyl-1,3-thiazol-2-amine Traditional Name: [5-[[(3S)-3-anilinopiperidin-1-ium-1-yl]methyl]-4-chloro-thiazol-2-yl]-dimethyl-amine Formula: C17H24ClN4S+ MolecularWeight: 351.91726

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=C(S1)C[NH+]2CCCC(C2)NC3=CC=CC=C3)Cl

Isomeric SMILES

CN(C)C1=NC(=C(S1)C[NH+]2CCC[C@@H](C2)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H23ClN4S/c1-21(2)17-20-16(18)15(23-17)12-22-10-6-9-14(11-22)19-13-7-4-3-5-8-13/h3-5,7-8,14,19H,6,9-12H2,1-2H3/p+1/t14-/m0/s1