N-butyl-N-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide

Systemtic Name: N-butyl-N-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide Openeye Name: N-butyl-3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N-methyl-imidazo[1,2-a]pyridine-2-carboxamide CAS Name: N-butyl-N-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-2-imidazo[1,2-a]pyridinecarboxamide IUPAC Name: N-butyl-N-methyl-3-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide Traditional Name: N-butyl-3-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-N-methyl-imidazo[1,2-a]pyridine-2-carboxamide Formula: C27H36N5O+ MolecularWeight: 446.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=C(N2C=CC=CC2=N1)CN3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CCCCN(C)C(=O)C1=C(N2C=CC=CC2=N1)CN3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C27H35N5O/c1-3-4-15-29(2)27(33)26-24(32-17-9-8-14-25(32)28-26)22-31-20-18-30(19-21-31)16-10-13-23-11-6-5-7-12-23/h5-14,17H,3-4,15-16,18-22H2,1-2H3/p+1/b13-10+