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

Systemtic Name: 3-cyclohexyl-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]-1-(piperidin-1-ium-4-ylmethyl)urea Openeye Name: 3-cyclohexyl-1-[(E)-2-methyl-3-phenyl-allyl]-1-(piperidin-1-ium-4-ylmethyl)urea CAS Name: 3-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(4-piperidin-1-iumylmethyl)urea IUPAC Name: 3-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-1-(piperidin-1-ium-4-ylmethyl)urea Traditional Name: 3-cyclohexyl-1-[(E)-2-methyl-3-phenyl-allyl]-1-(piperidin-1-ium-4-ylmethyl)urea Formula: C23H36N3O+ MolecularWeight: 370.55144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)CN(CC2CC[NH2+]CC2)C(=O)NC3CCCCC3

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/CN(CC2CC[NH2+]CC2)C(=O)NC3CCCCC3

InChI

InChI=1S/C23H35N3O/c1-19(16-20-8-4-2-5-9-20)17-26(18-21-12-14-24-15-13-21)23(27)25-22-10-6-3-7-11-22/h2,4-5,8-9,16,21-22,24H,3,6-7,10-15,17-18H2,1H3,(H,25,27)/p+1/b19-16+