4-[[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O2/c1-14(20(27)23-17-7-5-15(6-8-17)19(22)26)24-9-11-25(12-10-24)18-4-2-3-16(21)13-18/h2-8,13-14H,9-12H2,1H3,(H2,22,26)(H,23,27)/p+1/t14-/m1/s1