N,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

Systemtic Name: N,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]imidazo[1,2-a]pyridine-2-carboxamide Openeye Name: N,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]imidazo[1,2-a]pyridine-2-carboxamide CAS Name: N,5-dimethyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-imidazo[1,2-a]pyridinecarboxamide IUPAC Name: N,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]imidazo[1,2-a]pyridine-2-carboxamide Traditional Name: N,5-dimethyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]imidazo[1,2-a]pyridine-2-carboxamide Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CN12)C(=O)N(C)C3CCC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=NC(=CN12)C(=O)N(C)[C@H]3CCC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H28N4O/c1-18-8-6-12-22-24-21(17-27(18)22)23(28)25(2)20-11-7-14-26(16-20)15-13-19-9-4-3-5-10-19/h3-6,8-10,12,17,20H,7,11,13-16H2,1-2H3/p+1/t20-/m0/s1