4-(2-azanyl-2-oxidanylidene-ethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazin-4-ium-1-carboxamide Openeye Name: 4-(2-amino-2-oxo-ethyl)-N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]piperazin-4-ium-1-carboxamide CAS Name: 4-(2-amino-2-oxoethyl)-N-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-amino-2-keto-ethyl)-N-[1-(3-isopropenylphenyl)-1-methyl-ethyl]piperazin-4-ium-1-carboxamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2/c1-14(2)15-6-5-7-16(12-15)19(3,4)21-18(25)23-10-8-22(9-11-23)13-17(20)24/h5-7,12H,1,8-11,13H2,2-4H3,(H2,20,24)(H,21,25)/p+1