(2S)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide

Systemtic Name: (2S)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Openeye Name: (2S)-N-(4-benzyloxyphenyl)-2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-2-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]-N-(4-phenylmethoxyphenyl)propanamide IUPAC Name: (2S)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2S)-N-(4-benzoxyphenyl)-2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C28H34N3O2+ MolecularWeight: 444.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=CC(=C2)C)C(C)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=CC(=C2)C)[C@@H](C)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O2/c1-21-8-7-11-26(18-21)31-17-16-30(19-22(31)2)23(3)28(32)29-25-12-14-27(15-13-25)33-20-24-9-5-4-6-10-24/h4-15,18,22-23H,16-17,19-20H2,1-3H3,(H,29,32)/p+1/t22-,23-/m0/s1