N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-propan-2-yl-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-propan-2-yl-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-isopropyl-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-4-propan-2-ylbenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-propan-2-ylbenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-4-isopropyl-benzamide Formula: C27H31ClN3O+ MolecularWeight: 449.00754

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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)CC4=CC=CC=C4Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C27H30ClN3O/c1-20(2)21-7-9-22(10-8-21)27(32)29-24-11-13-25(14-12-24)31-17-15-30(16-18-31)19-23-5-3-4-6-26(23)28/h3-14,20H,15-19H2,1-2H3,(H,29,32)/p+1