N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-ethanamide Openeye Name: N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)allyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-acetamide CAS Name: N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxo-2-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-cyclohexyl-2-[(2R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3-oxopiperazin-1-ium-2-yl]-N-methylacetamide Traditional Name: N-cyclohexyl-2-[(2R)-3-keto-1-[(E)-3-(2-methoxyphenyl)allyl]piperazin-1-ium-2-yl]-N-methyl-acetamide Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CC2C(=O)NCC[NH+]2CC=CC3=CC=CC=C3OC

Isomeric SMILES

CN(C1CCCCC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2C/C=C/C3=CC=CC=C3OC

InChI

InChI=1S/C23H33N3O3/c1-25(19-11-4-3-5-12-19)22(27)17-20-23(28)24-14-16-26(20)15-8-10-18-9-6-7-13-21(18)29-2/h6-10,13,19-20H,3-5,11-12,14-17H2,1-2H3,(H,24,28)/p+1/b10-8+/t20-/m1/s1