N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide Openeye Name: N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]-4-(5-methyl-2-thienyl)-4-oxo-butanamide CAS Name: N-[2-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]ethyl]-4-(5-methyl-2-thiophenyl)-4-oxobutanamide IUPAC Name: N-[2-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide Traditional Name: 4-keto-N-[2-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]ethyl]-4-(5-methyl-2-thienyl)butyramide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NCCN2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)NCCN2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O2S/c1-17-8-10-21(28-17)20(26)9-11-22(27)23-12-13-25-15-14-24(2)16-19(25)18-6-4-3-5-7-18/h3-8,10,19H,9,11-16H2,1-2H3,(H,23,27)/p+1/t19-/m1/s1