N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: N-methyl-3-(4-methylthiazol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: N-methyl-3-(4-methyl-5-thiazolyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: N-methyl-3-(4-methylthiazol-5-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCC(=O)N(C)C2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=N1)CCC(=O)N(C)[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3OS/c1-17-20(26-16-22-17)10-11-21(25)23(2)19-9-6-13-24(15-19)14-12-18-7-4-3-5-8-18/h3-5,7-8,16,19H,6,9-15H2,1-2H3/p+1/t19-/m0/s1