2-[3-(diethylphosphorylamino)-2-(iminomethyl)-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-(diethylphosphorylamino)-2-(iminomethyl)-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-(diethylphosphorylamino)-2-methanimidoyl-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[3-(diethylphosphorylamino)-2-methanimidoyl-2-phenyl-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[3-(diethylphosphorylamino)-2-methanimidoyl-2-phenyl-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-(diethylphosphorylamino)-2-formimidoyl-2-phenyl-1-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C22H37N5O3P+ MolecularWeight: 450.534641

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(CC)NC1CCC[N+](C1(C=N)C2=CC=CC=C2)(CC(=O)O)N3CCNCC3

Isomeric SMILES

CCP(=O)(CC)NC1CCC[N+](C1(C=N)C2=CC=CC=C2)(CC(=O)O)N3CCNCC3

InChI

InChI=1S/C22H36N5O3P/c1-3-31(30,4-2)25-20-11-8-16-27(17-21(28)29,26-14-12-24-13-15-26)22(20,18-23)19-9-6-5-7-10-19/h5-7,9-10,18,20,23-24H,3-4,8,11-17H2,1-2H3,(H-,25,28,29,30)/p+1