N-butyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29N5O+2 MolecularWeight: 331.45576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=C[N+]3=CC=CC=C3N2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC2=C[N+]3=CC=CC=C3N2

InChI

InChI=1S/C18H27N5O/c1-2-3-7-19-18(24)15-22-11-9-21(10-12-22)13-16-14-23-8-5-4-6-17(23)20-16/h4-6,8,14H,2-3,7,9-13,15H2,1H3,(H,19,24)/p+2