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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]butanamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butanamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]butyramide Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N4O/c1-4-8-24(29)25-19-23(20-11-13-21(14-12-20)26(2)3)28-17-15-27(16-18-28)22-9-6-5-7-10-22/h5-7,9-14,23H,4,8,15-19H2,1-3H3,(H,25,29)/p+1/t23-/m1/s1