4-[[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-(4-o-phenetylpiperazin-1-ium-1-yl)propanoyl]amino]benzamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H28N4O3/c1-3-29-20-7-5-4-6-19(20)26-14-12-25(13-15-26)16(2)22(28)24-18-10-8-17(9-11-18)21(23)27/h4-11,16H,3,12-15H2,1-2H3,(H2,23,27)(H,24,28)/p+1/t16-/m1/s1