N-(2-methoxy-5-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(2-methoxy-5-methylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-17-8-9-20(26-2)19(16-17)22-21(25)10-11-23-12-14-24(15-13-23)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3,(H,22,25)/p+1