(3S)-1-[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylpiperidine-3-carboxamide

Systemtic Name: (3S)-1-[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxy-phenyl]carbonylpiperidine-3-carboxamide Openeye Name: (3S)-1-[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]piperidine-3-carboxamide CAS Name: (3S)-1-[[4-methoxy-3-[(1-propan-2-yl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[4-methoxy-3-(1-propan-2-ylpiperidin-1-ium-4-yl)oxybenzoyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[3-(1-isopropylpiperidin-1-ium-4-yl)oxy-4-methoxy-benzoyl]nipecotamide Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O4/c1-15(2)24-11-8-18(9-12-24)29-20-13-16(6-7-19(20)28-3)22(27)25-10-4-5-17(14-25)21(23)26/h6-7,13,15,17-18H,4-5,8-12,14H2,1-3H3,(H2,23,26)/p+1/t17-/m0/s1