(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[4-(2-furanyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C23H28N4O2/c1-3-22-24-16(2)20(26-22)15-27-12-4-6-18(14-27)23(28)25-19-10-8-17(9-11-19)21-7-5-13-29-21/h5,7-11,13,18H,3-4,6,12,14-15H2,1-2H3,(H,24,26)(H,25,28)/p+1/t18-/m0/s1