(3S)-N-cyclopropyl-1-[1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(3-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(3-hydroxy-4-methoxy-benzyl)piperidin-1-ium-4-yl]nipecotamide Formula: C22H34N3O3+ MolecularWeight: 388.52366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NC4CC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)N3CCC[C@@H](C3)C(=O)NC4CC4)O

InChI

InChI=1S/C22H33N3O3/c1-28-21-7-4-16(13-20(21)26)14-24-11-8-19(9-12-24)25-10-2-3-17(15-25)22(27)23-18-5-6-18/h4,7,13,17-19,26H,2-3,5-6,8-12,14-15H2,1H3,(H,23,27)/p+1/t17-/m0/s1