4-[[(2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H25ClN4O2/c1-14-3-6-17(22)13-19(14)26-11-9-25(10-12-26)15(2)21(28)24-18-7-4-16(5-8-18)20(23)27/h3-8,13,15H,9-12H2,1-2H3,(H2,23,27)(H,24,28)/p+1/t15-/m1/s1