(3S)-N-cyclopentyl-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopentyl-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopentyl-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopentyl-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopentyl-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopentyl-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C25H39N3O+2 MolecularWeight: 397.59666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(C1)NC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C25H37N3O/c29-25(26-22-9-3-4-10-22)21-8-5-13-28(18-21)23-11-14-27(15-12-23)24-16-19-6-1-2-7-20(19)17-24/h1-2,6-7,21-24H,3-5,8-18H2,(H,26,29)/p+2/t21-/m0/s1