N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-8-methyl-imidazo[1,2-a]pyridine-2-carboxamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-8-methyl-imidazo[1,2-a]pyridine-2-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-8-methyl-imidazo[1,2-a]pyridine-2-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-8-methyl-2-imidazo[1,2-a]pyridinecarboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-8-methylimidazo[1,2-a]pyridine-2-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-8-methyl-imidazo[1,2-a]pyridine-2-carboxamide Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=C2)C(=O)NC3CCC[NH+](C3)C4CCCCCC4

Isomeric SMILES

CC1=CC=CN2C1=NC(=C2)C(=O)N[C@H]3CCC[NH+](C3)C4CCCCCC4

InChI

InChI=1S/C21H30N4O/c1-16-8-6-13-25-15-19(23-20(16)25)21(26)22-17-9-7-12-24(14-17)18-10-4-2-3-5-11-18/h6,8,13,15,17-18H,2-5,7,9-12,14H2,1H3,(H,22,26)/p+1/t17-/m0/s1