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

Systemtic Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Openeye Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide CAS Name: N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-4-(2-pyridin-1-iumyl)-1-piperazinecarboxamide IUPAC Name: N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-4-pyridin-1-ium-2-ylpiperazine-1-carboxamide Traditional Name: N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]-4-pyridin-1-ium-2-yl-piperazine-1-carboxamide Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H28N4O/c1-17(2)18-8-7-9-19(16-18)22(3,4)24-21(27)26-14-12-25(13-15-26)20-10-5-6-11-23-20/h5-11,16H,1,12-15H2,2-4H3,(H,24,27)/p+1