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

Systemtic Name: 1-(4-butylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(4-butylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-(4-butylphenyl)-3-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(4-butylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-(4-butylphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C22H29N3O/c1-2-3-6-18-7-11-20(12-8-18)23-22(26)24-21-13-9-19(10-14-21)17-25-15-4-5-16-25/h7-14H,2-6,15-17H2,1H3,(H2,23,24,26)/p+1