(2S)-N-phenethyl-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-phenethyl-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-phenethyl-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-phenethyl-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-phenethyl-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-phenethyl-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-18(21(25)22-13-12-19-8-4-2-5-9-19)23-14-16-24(17-15-23)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,22,25)/p+1/t18-/m0/s1