(3S)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxamide

Systemtic Name: (3S)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxamide Openeye Name: (3S)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide CAS Name: (3S)-3-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide Traditional Name: (3S)-3-(4-veratrylpiperazin-4-ium-1-carbonyl)piperidine-1-carboxamide Formula: C20H31N4O4+ MolecularWeight: 391.48454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3CCCN(C3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN(C3)C(=O)N)OC

InChI

InChI=1S/C20H30N4O4/c1-27-17-6-5-15(12-18(17)28-2)13-22-8-10-23(11-9-22)19(25)16-4-3-7-24(14-16)20(21)26/h5-6,12,16H,3-4,7-11,13-14H2,1-2H3,(H2,21,26)/p+1/t16-/m0/s1