1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-[1-(pyrrolidin-1-ium-1-ylmethyl)cyclohexyl]urea

Systemtic Name: 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-[1-(pyrrolidin-1-ium-1-ylmethyl)cyclohexyl]urea Openeye Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-[1-(pyrrolidin-1-ium-1-ylmethyl)cyclohexyl]urea CAS Name: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-[1-(1-pyrrolidin-1-iumylmethyl)cyclohexyl]urea IUPAC Name: 1-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3-[1-(pyrrolidin-1-ium-1-ylmethyl)cyclohexyl]urea Traditional Name: 1-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-3-[1-(pyrrolidin-1-ium-1-ylmethyl)cyclohexyl]urea Formula: C24H38N3O+ MolecularWeight: 384.57802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2(CCCCC2)C[NH+]3CCCC3

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2(CCCCC2)C[NH+]3CCCC3

InChI

InChI=1S/C24H37N3O/c1-19(2)20-11-10-12-21(17-20)23(3,4)25-22(28)26-24(13-6-5-7-14-24)18-27-15-8-9-16-27/h10-12,17H,1,5-9,13-16,18H2,2-4H3,(H2,25,26,28)/p+1