(3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(3-thienylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(2-methyl-1-imidazolyl)phenyl]-1-(3-thiophenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-(3-thenyl)piperidin-1-ium-3-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=CSC=C4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=CSC=C4

InChI

InChI=1S/C21H24N4OS/c1-16-22-9-11-25(16)20-6-4-19(5-7-20)23-21(26)18-3-2-10-24(14-18)13-17-8-12-27-15-17/h4-9,11-12,15,18H,2-3,10,13-14H2,1H3,(H,23,26)/p+1/t18-/m0/s1