(3S)-N-cyclopropyl-1-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(3-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(3-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(3-hydroxybenzyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C21H33N3O2+2 MolecularWeight: 359.50562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC(=CC=C3)O)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC(=CC=C3)O)C(=O)NC4CC4

InChI

InChI=1S/C21H31N3O2/c25-20-5-1-3-16(13-20)14-23-11-8-19(9-12-23)24-10-2-4-17(15-24)21(26)22-18-6-7-18/h1,3,5,13,17-19,25H,2,4,6-12,14-15H2,(H,22,26)/p+2/t17-/m0/s1