1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-3-(phenylmethyl)-1-(piperidin-1-ium-4-ylmethyl)urea

Systemtic Name: 1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-3-(phenylmethyl)-1-(piperidin-1-ium-4-ylmethyl)urea Openeye Name: 3-benzyl-1-[(E)-2-methyl-3-phenyl-allyl]-1-(piperidin-1-ium-4-ylmethyl)urea CAS Name: 1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-(phenylmethyl)-1-(4-piperidin-1-iumylmethyl)urea IUPAC Name: 3-benzyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(piperidin-1-ium-4-ylmethyl)urea Traditional Name: 3-benzyl-1-[(E)-2-methyl-3-phenyl-allyl]-1-(piperidin-1-ium-4-ylmethyl)urea Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN(CC2CC[NH2+]CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN(CC2CC[NH2+]CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O/c1-20(16-21-8-4-2-5-9-21)18-27(19-23-12-14-25-15-13-23)24(28)26-17-22-10-6-3-7-11-22/h2-11,16,23,25H,12-15,17-19H2,1H3,(H,26,28)/p+1/b20-16+