N1,N1-dimethyl-N4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperidine-1,4-dicarboxamide

Systemtic Name: N1,N1-dimethyl-N4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperidine-1,4-dicarboxamide Openeye Name: N1,N1-dimethyl-N4-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperidine-1,4-dicarboxamide CAS Name: N1,N1-dimethyl-N4-[(3S)-1-phenethyl-3-piperidin-1-iumyl]piperidine-1,4-dicarboxamide IUPAC Name: 1-N,1-N-dimethyl-4-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperidine-1,4-dicarboxamide Traditional Name: N,N-dimethyl-N'-[(3S)-1-phenethylpiperidin-1-ium-3-yl]piperidine-1,4-dicarboxamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1CCC(CC1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)N1CCC(CC1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H34N4O2/c1-24(2)22(28)26-15-11-19(12-16-26)21(27)23-20-9-6-13-25(17-20)14-10-18-7-4-3-5-8-18/h3-5,7-8,19-20H,6,9-17H2,1-2H3,(H,23,27)/p+1/t20-/m0/s1