3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide

Systemtic Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Openeye Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide CAS Name: 3-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-methoxyphenyl)propanamide IUPAC Name: 3-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propanamide Traditional Name: 3-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]-N-(2-methoxyphenyl)propionamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O2/c1-27-20-5-3-2-4-19(20)23-21(26)10-11-24-12-14-25(15-13-24)16-17-6-8-18(22)9-7-17/h2-9H,10-16H2,1H3,(H,23,26)/p+1