(2S)-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propanamide

Systemtic Name: (2S)-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propanamide Openeye Name: (2S)-2-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-2-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propionamide Formula: C25H37N3O3+2 MolecularWeight: 427.57958

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C25H35N3O3/c1-6-28(22-10-8-7-9-11-22)25(29)20(3)27-14-12-26(13-15-27)18-21-17-24(31-5)23(30-4)16-19(21)2/h7-11,16-17,20H,6,12-15,18H2,1-5H3/p+2/t20-/m0/s1