(2S)-2-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide

Systemtic Name: (2S)-2-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Openeye Name: (2S)-2-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide CAS Name: (2S)-2-phenyl-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]butanamide IUPAC Name: (2S)-2-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Traditional Name: (2S)-2-phenyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butyramide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-2-21(19-9-5-3-6-10-19)22(26)23-13-14-24-15-17-25(18-16-24)20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,23,26)/p+1/t21-/m0/s1