N-(3,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

InChI

InChI=1S/C22H29N3O2/c1-17-14-18(2)16-19(15-17)23-22(26)8-9-24-10-12-25(13-11-24)20-6-4-5-7-21(20)27-3/h4-7,14-16H,8-13H2,1-3H3,(H,23,26)/p+1