N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-N-ethyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H32N5O3+ MolecularWeight: 414.52118

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C22H31N5O3/c1-4-26(16-18-7-8-19(30-5-2)20(15-18)29-3)21(28)17-25-11-13-27(14-12-25)22-23-9-6-10-24-22/h6-10,15H,4-5,11-14,16-17H2,1-3H3/p+1