(2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propanamide

Systemtic Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propanamide Openeye Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propanamide CAS Name: (2S)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(1R)-1-phenylbutyl]propanamide IUPAC Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propanamide Traditional Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(1R)-1-phenylbutyl]propionamide Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O2/c1-4-9-23(20-10-6-5-7-11-20)25-24(28)19(2)26-14-16-27(17-15-26)21-12-8-13-22(18-21)29-3/h5-8,10-13,18-19,23H,4,9,14-17H2,1-3H3,(H,25,28)/p+1/t19-,23+/m0/s1