[1-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-4-yl]methylazanium

Systemtic Name: [1-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-4-yl]methylazanium Openeye Name: [1-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-4-yl]methylammonium CAS Name: [1-methyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4-piperidin-1-iumyl]methylammonium IUPAC Name: [1-methyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)piperidin-1-ium-4-yl]methylazanium Traditional Name: [1-methyl-4-(4-pyridin-1-ium-2-ylpiperazino)piperidin-1-ium-4-yl]methylammonium Formula: C16H30N5+3 MolecularWeight: 292.4429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+]1CCC(CC1)(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H27N5/c1-19-8-5-16(14-17,6-9-19)21-12-10-20(11-13-21)15-4-2-3-7-18-15/h2-4,7H,5-6,8-14,17H2,1H3/p+3