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

Systemtic Name: N-(2,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(2,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(2,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(2,5-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(=C(C=C1)C)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

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

InChI

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