N,N-diethyl-1-[2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxamide

Systemtic Name: N,N-diethyl-1-[2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl]piperidine-4-carboxamide Openeye Name: N,N-diethyl-1-[2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetyl]piperidine-4-carboxamide CAS Name: N,N-diethyl-1-[2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: N,N-diethyl-1-[2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]piperidine-4-carboxamide Traditional Name: N,N-diethyl-1-[2-[(2R)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetyl]isonipecotamide Formula: C24H37N4O3+ MolecularWeight: 429.57558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C(=O)C1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)C

InChI

InChI=1S/C24H36N4O3/c1-4-26(5-2)24(31)20-10-13-27(14-11-20)22(29)16-21-23(30)25-12-15-28(21)17-19-8-6-18(3)7-9-19/h6-9,20-21H,4-5,10-17H2,1-3H3,(H,25,30)/p+1/t21-/m1/s1