(1R,2S)-2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-carbonyl]cyclohexanecarboxylate Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@H](C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C(=O)[O-]

InChI

InChI=1S/C23H28N2O3/c26-22(20-10-3-4-11-21(20)23(27)28)25-14-12-24(13-15-25)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-2,5-9,20-21H,3-4,10-16H2,(H,27,28)/t20-,21+/m0/s1