N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-phenyl-propanamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-phenyl-propanamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-phenyl-propanamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-phenylpropanamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-3-phenyl-propionamide Formula: C24H36N4O+2 MolecularWeight: 396.56884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)CCC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)CCC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C24H34N4O/c1-26(2)22-12-10-21(11-13-22)23(28-17-15-27(3)16-18-28)19-25-24(29)14-9-20-7-5-4-6-8-20/h4-8,10-13,23H,9,14-19H2,1-3H3,(H,25,29)/p+2/t23-/m1/s1