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

Systemtic Name: 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: 3-(4-methylthiazol-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: 3-(4-methyl-5-thiazolyl)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(4-methyl-1,3-thiazol-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: 3-(4-methylthiazol-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-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)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC=N1)CCC(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3OS/c1-17-20(26-16-22-17)11-12-21(25)23-19-10-6-14-24(15-19)13-5-9-18-7-3-2-4-8-18/h2-4,7-8,16,19H,5-6,9-15H2,1H3,(H,23,25)/p+1/t19-/m0/s1