(2S)-N-(ethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(ethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-(ethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-(ethylcarbamoyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-(ethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-(ethylcarbamoyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H28N4O3/c1-3-23-22(28)24-21(27)20(17-8-5-4-6-9-17)26-14-12-25(13-15-26)18-10-7-11-19(16-18)29-2/h4-11,16,20H,3,12-15H2,1-2H3,(H2,23,24,27,28)/p+1/t20-/m0/s1