2-[3-(methoxycarbonylamino)-2-methyl-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3-(methoxycarbonylamino)-2-methyl-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-(methoxycarbonylamino)-2-methyl-2-phenyl-1-piperazin-1-yl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[3-(methoxycarbonylamino)-2-methyl-2-phenyl-1-(1-piperazinyl)-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[3-(methoxycarbonylamino)-2-methyl-2-phenyl-1-piperazin-1-ylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[3-(carbomethoxyamino)-2-methyl-2-phenyl-1-piperazino-piperidin-1-ium-1-yl]acetate Formula: C20H30N4O4 MolecularWeight: 390.4766

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC[N+]1(CC(=O)[O-])N2CCNCC2)NC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1(C(CCC[N+]1(CC(=O)[O-])N2CCNCC2)NC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H30N4O4/c1-20(16-7-4-3-5-8-16)17(22-19(27)28-2)9-6-14-24(20,15-18(25)26)23-12-10-21-11-13-23/h3-5,7-8,17,21H,6,9-15H2,1-2H3,(H-,22,25,26,27)