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

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide Formula: C22H36N4O3+2 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N(C)CC[NH+]3CCCC3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC[NH+]3CCCC3

InChI

InChI=1S/C22H34N4O3/c1-3-29-20-9-5-4-8-18(20)17-26-13-10-23-22(28)19(26)16-21(27)24(2)14-15-25-11-6-7-12-25/h4-5,8-9,19H,3,6-7,10-17H2,1-2H3,(H,23,28)/p+2/t19-/m1/s1