N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide CAS Name: N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2)C3=CC(=CC=C3)OC

Isomeric SMILES

C/C(=N/NC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2)/C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N4O2/c1-18(20-9-6-10-21(15-20)28-2)23-24-22(27)17-26-13-11-25(12-14-26)16-19-7-4-3-5-8-19/h3-10,15H,11-14,16-17H2,1-2H3,(H,24,27)/p+1/b23-18-