3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CC[NH+](CC2)CCC(=O)NC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H31N3O3/c1-18-15-21(28-2)22(29-3)16-19(18)17-26-13-11-25(12-14-26)10-9-23(27)24-20-7-5-4-6-8-20/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,27)/p+1