N-ethyl-2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide

Systemtic Name: N-ethyl-2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: N-ethyl-2-[(2S)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: N-ethyl-2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: N-ethyl-2-[(2S)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: N-ethyl-2-[(2S)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C23H38N4O3+2 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+]1CCCC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

Isomeric SMILES

CCN(CC[NH+]1CCCC1)C(=O)C[C@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C23H36N4O3/c1-4-26(14-13-25-10-5-6-11-25)22(28)16-20-23(29)24-9-12-27(20)17-19-7-8-21(30-3)18(2)15-19/h7-8,15,20H,4-6,9-14,16-17H2,1-3H3,(H,24,29)/p+2/t20-/m0/s1