2-[4-[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[(3S)-1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[(3S)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(3S)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(3S)-1-(4-chlorobenzoyl)nipecotoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H32ClN4O3+ MolecularWeight: 447.97818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H31ClN4O3/c24-20-7-5-18(6-8-20)22(30)28-11-3-4-19(16-28)23(31)27-14-12-25(13-15-27)17-21(29)26-9-1-2-10-26/h5-8,19H,1-4,9-17H2/p+1/t19-/m0/s1