2-[3-azanyl-2-[(E)-hydroxyiminomethyl]-3-methyl-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-azanyl-2-[(E)-hydroxyiminomethyl]-3-methyl-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-amino-2-[(E)-hydroxyiminomethyl]-3-methyl-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[3-amino-2-[(E)-hydroxyiminomethyl]-3-methyl-2-phenyl-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[3-amino-2-[(E)-hydroxyiminomethyl]-3-methyl-2-phenyl-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[3-amino-2-[(E)-hydroximinomethyl]-3-methyl-2-phenyl-1-piperazino-piperidin-1-ium-1-yl]acetic acid Formula: C19H30N5O3+ MolecularWeight: 376.4732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[N+](C1(C=NO)C2=CC=CC=C2)(CC(=O)O)N3CCNCC3)N

Isomeric SMILES

CC1(CCC[N+](C1(/C=N/O)C2=CC=CC=C2)(CC(=O)O)N3CCNCC3)N

InChI

InChI=1S/C19H29N5O3/c1-18(20)8-5-13-24(14-17(25)26,23-11-9-21-10-12-23)19(18,15-22-27)16-6-3-2-4-7-16/h2-4,6-7,15,21H,5,8-14,20H2,1H3,(H-,25,26,27)/p+1/b22-15+