N-[[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3S)-1-[(2-methyl-5-thiazolyl)methyl]-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3S)-1-[(2-methylthiazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3OS/c1-18-25-15-23(29-18)17-27-13-5-6-19(16-27)14-26-24(28)22-11-9-21(10-12-22)20-7-3-2-4-8-20/h2-4,7-12,15,19H,5-6,13-14,16-17H2,1H3,(H,26,28)/p+1/t19-/m0/s1