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

Systemtic Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-methoxy-5-methyl-phenyl)-2-(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)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-16-9-10-20(26-3)19(15-16)22-21(25)17(2)23-11-13-24(14-12-23)18-7-5-4-6-8-18/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1