(3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpiperidine-3-carboxamide

Systemtic Name: (3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonylpiperidine-3-carboxamide Openeye Name: (3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]piperidine-3-carboxamide CAS Name: (3S)-1-[oxo-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]piperidine-3-carboxamide Traditional Name: (3S)-1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]nipecotamide Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C26H33N3O3/c27-25(30)22-7-4-15-29(19-22)26(31)21-8-10-23(11-9-21)32-24-13-17-28(18-14-24)16-12-20-5-2-1-3-6-20/h1-3,5-6,8-11,22,24H,4,7,12-19H2,(H2,27,30)/p+1/t22-/m0/s1