N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-[(3S)-3-phenylbutyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-[(3S)-3-phenylbutyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-[(3S)-3-phenylbutyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-[(3S)-3-phenylbutyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-[(3S)-3-phenylbutyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-1-[(3S)-3-phenylbutyl]piperidin-1-ium-4-carboxamide Formula: C25H31N4OS+ MolecularWeight: 435.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CCC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN=C(S1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)CC[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-18(20-7-4-3-5-8-20)11-14-29-15-12-21(13-16-29)24(30)26-23-10-6-9-22(17-23)25-28-27-19(2)31-25/h3-10,17-18,21H,11-16H2,1-2H3,(H,26,30)/p+1/t18-/m0/s1