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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pentanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pentanamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]pentanamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]pentanamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]valeramide Formula: C25H37N4O+ MolecularWeight: 409.58748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O/c1-4-5-11-25(30)26-20-24(21-12-14-22(15-13-21)27(2)3)29-18-16-28(17-19-29)23-9-7-6-8-10-23/h6-10,12-15,24H,4-5,11,16-20H2,1-3H3,(H,26,30)/p+1/t24-/m1/s1