1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-3-[1-(phenylmethyl)-4-piperidin-1-iumyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C25H34N3O+ MolecularWeight: 392.55696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O/c1-19(2)21-11-8-12-22(17-21)25(3,4)27-24(29)26-23-13-15-28(16-14-23)18-20-9-6-5-7-10-20/h5-12,17,23H,1,13-16,18H2,2-4H3,(H2,26,27,29)/p+1