ethyl 4-(phenylmethyl)-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-(phenylmethyl)-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-benzyl-4-prop-2-ynyl-piperazin-4-ium-1-carboxylate chloride CAS Name: 4-(phenylmethyl)-4-prop-2-ynyl-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-benzyl-4-prop-2-ynylpiperazin-4-ium-1-carboxylate chloride Traditional Name: 4-benzyl-4-propargyl-piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[N+](CC1)(CC#C)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[N+](CC1)(CC#C)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H23N2O2.ClH/c1-3-12-19(15-16-8-6-5-7-9-16)13-10-18(11-14-19)17(20)21-4-2;/h1,5-9H,4,10-15H2,2H3;1H/q+1;/p-1