N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(dimethylamino)benzyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C21H31N5O+2 MolecularWeight: 369.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H29N5O/c1-23(2)19-9-7-18(8-10-19)16-24(3)21(27)17-25-12-14-26(15-13-25)20-6-4-5-11-22-20/h4-11H,12-17H2,1-3H3/p+2