(3S)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-1-ium-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-(2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[[4-(cyclobutylmethoxy)phenyl]methyl]-N-cyclopropyl-1-pyridin-1-ium-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-1-pyridin-1-ium-2-yl-nipecotamide Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)COC2=CC=C(C=C2)CN(C3CC3)C(=O)C4CCCN(C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=CC=CC=[NH+]2)C(=O)N(CC3=CC=C(C=C3)OCC4CCC4)C5CC5

InChI

InChI=1S/C26H33N3O2/c30-26(22-7-4-16-28(18-22)25-8-1-2-15-27-25)29(23-11-12-23)17-20-9-13-24(14-10-20)31-19-21-5-3-6-21/h1-2,8-10,13-15,21-23H,3-7,11-12,16-19H2/p+1/t22-/m0/s1