4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Formula: C23H40N5O+3 MolecularWeight: 402.5966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H37N5O/c1-25-12-9-22(10-13-25)28-11-3-4-20(18-28)24-23(29)19-5-7-21(8-6-19)27-16-14-26(2)15-17-27/h5-8,20,22H,3-4,9-18H2,1-2H3,(H,24,29)/p+3/t20-/m0/s1