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

Systemtic Name: (3S)-N-butyl-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-butyl-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-butyl-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-butyl-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-butyl-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C24H39N3O+2 MolecularWeight: 385.58596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CCCCNC(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C24H37N3O/c1-2-3-12-25-24(28)21-9-6-13-27(18-21)22-10-14-26(15-11-22)23-16-19-7-4-5-8-20(19)17-23/h4-5,7-8,21-23H,2-3,6,9-18H2,1H3,(H,25,28)/p+2/t21-/m0/s1