[(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone

Systemtic Name: [(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-1-ium-3-yl]-naphthalen-1-yl-methanone Openeye Name: [(3S)-1-[[2-(dimethylamino)thiazol-5-yl]methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone CAS Name: [(3S)-1-[[2-(dimethylamino)-5-thiazolyl]methyl]-3-piperidin-1-iumyl]-(1-naphthalenyl)methanone IUPAC Name: [(3S)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-1-ium-3-yl]-naphthalen-1-ylmethanone Traditional Name: [(3S)-1-[[2-(dimethylamino)thiazol-5-yl]methyl]piperidin-1-ium-3-yl]-(1-naphthyl)methanone Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=C(S1)C[NH+]2CCCC(C2)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN(C)C1=NC=C(S1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N3OS/c1-24(2)22-23-13-18(27-22)15-25-12-6-9-17(14-25)21(26)20-11-5-8-16-7-3-4-10-19(16)20/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3/p+1/t17-/m0/s1