N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-propan-2-yl-benzamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-isopropyl-benzamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-propan-2-ylbenzamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-propan-2-ylbenzamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-isopropyl-benzamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C21H26ClN3O/c1-15(2)16-4-6-17(7-5-16)21(26)23-18-8-9-20(19(22)14-18)25-12-10-24(3)11-13-25/h4-9,14-15H,10-13H2,1-3H3,(H,23,26)/p+1