(3S)-1-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylpiperidine-3-carboxamide

Systemtic Name: (3S)-1-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylpiperidine-3-carboxamide Openeye Name: (3S)-1-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzoyl]piperidine-3-carboxamide CAS Name: (3S)-1-[[3-methoxy-4-[(1-methyl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxybenzoyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[3-methoxy-4-(1-methylpiperidin-1-ium-4-yl)oxy-benzoyl]nipecotamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)N)OC

Isomeric SMILES

C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N3CCC[C@@H](C3)C(=O)N)OC

InChI

InChI=1S/C20H29N3O4/c1-22-10-7-16(8-11-22)27-17-6-5-14(12-18(17)26-2)20(25)23-9-3-4-15(13-23)19(21)24/h5-6,12,15-16H,3-4,7-11,13H2,1-2H3,(H2,21,24)/p+1/t15-/m0/s1