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

Systemtic Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[4-(2-furanyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[4-(furan-2-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-[4-(2-furyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=C(C=C3)C4=CC=CO4

InChI

InChI=1S/C24H30N4O2/c1-2-3-8-23-25-15-21(26-23)17-28-13-4-6-19(16-28)24(29)27-20-11-9-18(10-12-20)22-7-5-14-30-22/h5,7,9-12,14-15,19H,2-4,6,8,13,16-17H2,1H3,(H,25,26)(H,27,29)/p+1/t19-/m0/s1