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

Systemtic Name: 1,3-bis[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1,3-bis[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1,3-bis[4-(1-pyrrolidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1,3-bis[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1,3-bis[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Formula: C23H32N4O+2 MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C23H30N4O/c28-23(24-21-9-5-19(6-10-21)17-26-13-1-2-14-26)25-22-11-7-20(8-12-22)18-27-15-3-4-16-27/h5-12H,1-4,13-18H2,(H2,24,25,28)/p+2