1,3-bis[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1,3-bis[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1,3-bis[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1,3-bis[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1,3-bis[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1,3-bis[4-(piperidin-1-ium-1-ylmethyl)benzyl]urea Formula: C27H40N4O+2 MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C27H38N4O/c32-27(28-19-23-7-11-25(12-8-23)21-30-15-3-1-4-16-30)29-20-24-9-13-26(14-10-24)22-31-17-5-2-6-18-31/h7-14H,1-6,15-22H2,(H2,28,29,32)/p+2