(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-propanamide

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propionamide Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NCC=C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NCC=C)C

InChI

InChI=1S/C18H27N3O/c1-5-9-19-18(22)16(4)20-10-12-21(13-11-20)17-8-6-7-14(2)15(17)3/h5-8,16H,1,9-13H2,2-4H3,(H,19,22)/p+1/t16-/m1/s1