N-[(2S)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-oxopropan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(4-veratrylpiperazin-4-ium-1-yl)ethyl]-3-methyl-benzamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H31N3O4/c1-17-6-5-7-20(14-17)23(28)25-18(2)24(29)27-12-10-26(11-13-27)16-19-8-9-21(30-3)22(15-19)31-4/h5-9,14-15,18H,10-13,16H2,1-4H3,(H,25,28)/p+1/t18-/m0/s1