2-chloranyl-N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-2-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-oxopropan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxopropan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-2-keto-1-methyl-2-(4-p-anisylpiperazin-4-ium-1-yl)ethyl]benzamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)OC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H26ClN3O3/c1-16(24-21(27)19-5-3-4-6-20(19)23)22(28)26-13-11-25(12-14-26)15-17-7-9-18(29-2)10-8-17/h3-10,16H,11-15H2,1-2H3,(H,24,27)/p+1/t16-/m0/s1