N-butyl-N-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

Systemtic Name: N-butyl-N-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide Openeye Name: N-butyl-N-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide CAS Name: N-butyl-N-methyl-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-2-imidazo[1,2-a]pyridinecarboxamide IUPAC Name: N-butyl-N-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide Traditional Name: N-butyl-N-methyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide Formula: C22H30N7O+ MolecularWeight: 408.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=C(N2C=CC=CC2=N1)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCCCN(C)C(=O)C1=C(N2C=CC=CC2=N1)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N7O/c1-3-4-11-26(2)21(30)20-18(29-12-6-5-8-19(29)25-20)17-27-13-15-28(16-14-27)22-23-9-7-10-24-22/h5-10,12H,3-4,11,13-17H2,1-2H3/p+1