2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(1-phenylcyclopentyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[(1-phenylcyclopentyl)methyl]acetamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-2-33-23-12-10-21(11-13-23)19-30-17-16-28-26(32)24(30)18-25(31)29-20-27(14-6-7-15-27)22-8-4-3-5-9-22/h3-5,8-13,24H,2,6-7,14-20H2,1H3,(H,28,32)(H,29,31)/p+1/t24-/m1/s1