N-(2-acetamidoethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-acetamidoethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-acetamidoethyl)-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-acetamidoethyl)-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-acetamidoethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-acetamidoethyl)-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-carboxamide Formula: C23H38N4O2+2 MolecularWeight: 402.57342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCNC(=O)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)[NH+]3CCC(CC3)C(=O)NCCNC(=O)C

InChI

InChI=1S/C23H36N4O2/c1-18-5-3-4-6-21(18)17-26-13-9-22(10-14-26)27-15-7-20(8-16-27)23(29)25-12-11-24-19(2)28/h3-6,20,22H,7-17H2,1-2H3,(H,24,28)(H,25,29)/p+2