N-[(2S)-2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]propanamide

Systemtic Name: N-[(2S)-2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]propanamide Openeye Name: N-[(2S)-2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]propanamide CAS Name: N-[(2S)-2-[4-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenoxy]propyl]propanamide IUPAC Name: N-[(2S)-2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]propanamide Traditional Name: N-[(2S)-2-[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]propyl]propionamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC(C)OC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC[C@H](C)OC1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H31N3O2/c1-3-23(27)24-17-19(2)28-22-11-9-20(10-12-22)18-25-13-15-26(16-14-25)21-7-5-4-6-8-21/h4-12,19H,3,13-18H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1