N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-4-(2-pyridinylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-(2-pyridylmethyl)piperazin-4-ium-1-carboxamide Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C23H30N4O/c1-18(2)19-8-7-9-20(16-19)23(3,4)25-22(28)27-14-12-26(13-15-27)17-21-10-5-6-11-24-21/h5-11,16H,1,12-15,17H2,2-4H3,(H,25,28)/p+1