N-ethyl-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: N-ethyl-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: N-ethyl-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide CAS Name: N-ethyl-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: N-ethyl-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: N-ethyl-2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N4O3/c1-3-25(15-17-7-9-23-10-8-17)21(27)14-20-22(28)24-11-12-26(20)16-18-5-4-6-19(13-18)29-2/h4-10,13,20H,3,11-12,14-16H2,1-2H3,(H,24,28)/p+1/t20-/m1/s1