3-cyclohexyl-1-(2-morpholin-4-ium-4-ylethyl)-1-[(2E)-2-(phenylmethylidene)heptyl]urea

Systemtic Name: 3-cyclohexyl-1-(2-morpholin-4-ium-4-ylethyl)-1-[(2E)-2-(phenylmethylidene)heptyl]urea Openeye Name: 1-[(2E)-2-benzylideneheptyl]-3-cyclohexyl-1-(2-morpholin-4-ium-4-ylethyl)urea CAS Name: 3-cyclohexyl-1-[2-(4-morpholin-4-iumyl)ethyl]-1-[(2E)-2-(phenylmethylene)heptyl]urea IUPAC Name: 1-[(2E)-2-benzylideneheptyl]-3-cyclohexyl-1-(2-morpholin-4-ium-4-ylethyl)urea Traditional Name: 1-[(E)-2-amyl-3-phenyl-allyl]-3-cyclohexyl-1-(2-morpholin-4-ium-4-ylethyl)urea Formula: C27H44N3O2+ MolecularWeight: 442.65716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC=CC=C1)CN(CC[NH+]2CCOCC2)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCC/C(=C\C1=CC=CC=C1)/CN(CC[NH+]2CCOCC2)C(=O)NC3CCCCC3

InChI

InChI=1S/C27H43N3O2/c1-2-3-6-13-25(22-24-11-7-4-8-12-24)23-30(17-16-29-18-20-32-21-19-29)27(31)28-26-14-9-5-10-15-26/h4,7-8,11-12,22,26H,2-3,5-6,9-10,13-21,23H2,1H3,(H,28,31)/p+1/b25-22+