1-[4-(4-pentylcyclohexyl)phenyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-[4-(4-pentylcyclohexyl)phenyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 1-[4-(4-pentylcyclohexyl)phenyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 1-[4-(4-pentylcyclohexyl)phenyl]-3-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[4-(4-pentylcyclohexyl)phenyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 1-[4-(4-amylcyclohexyl)phenyl]-3-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C24H40N3O+ MolecularWeight: 386.5939

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)NC(=O)NCC[NH+]3CCCC3

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)NC(=O)NCC[NH+]3CCCC3

InChI

InChI=1S/C24H39N3O/c1-2-3-4-7-20-8-10-21(11-9-20)22-12-14-23(15-13-22)26-24(28)25-16-19-27-17-5-6-18-27/h12-15,20-21H,2-11,16-19H2,1H3,(H2,25,26,28)/p+1