1-(2-piperidin-1-ium-1-ylethyl)-3-[4-[[4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)phenyl]methyl]phenyl]urea

Systemtic Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[4-[[4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)phenyl]methyl]phenyl]urea Openeye Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[4-[[4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)phenyl]methyl]phenyl]urea CAS Name: 1-[4-[[4-[[oxo-[2-(1-piperidin-1-iumyl)ethylamino]methyl]amino]phenyl]methyl]phenyl]-3-[2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[4-[[4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)phenyl]methyl]phenyl]urea Traditional Name: 1-(2-piperidin-1-ium-1-ylethyl)-3-[4-[4-(2-piperidin-1-ium-1-ylethylcarbamoylamino)benzyl]phenyl]urea Formula: C29H44N6O2+2 MolecularWeight: 508.69866

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C29H42N6O2/c36-28(30-15-21-34-17-3-1-4-18-34)32-26-11-7-24(8-12-26)23-25-9-13-27(14-10-25)33-29(37)31-16-22-35-19-5-2-6-20-35/h7-14H,1-6,15-23H2,(H2,30,32,36)(H2,31,33,37)/p+2