(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[2-[(1S)-1-methylpropyl]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[2-[(1S)-1-methylpropyl]phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-4-18(2)21-12-8-9-13-22(21)24-23(27)19(3)25-14-16-26(17-15-25)20-10-6-5-7-11-20/h5-13,18-19H,4,14-17H2,1-3H3,(H,24,27)/p+1/t18-,19-/m0/s1