(2S)-1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(5-methyl-2-thienyl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(5-methyl-2-thiophenyl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(5-methylthiophen-2-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(5-methyl-2-thienyl)methyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-2-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+]2CCCCC2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(S1)C[NH+]2CCCC[C@H]2C(=O)NC3=CC=C(C=C3)OC4=CN=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-17-7-12-21(29-17)16-26-14-3-2-6-22(26)23(27)25-18-8-10-19(11-9-18)28-20-5-4-13-24-15-20/h4-5,7-13,15,22H,2-3,6,14,16H2,1H3,(H,25,27)/p+1/t22-/m0/s1