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

Systemtic Name: (3S)-N-butyl-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-methyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-butyl-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-butyl-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-N-methyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-butyl-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-butyl-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-N-methyl-piperidin-1-ium-3-carboxamide Formula: C25H41N3O+2 MolecularWeight: 399.61254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O/c1-3-4-13-26(2)25(29)22-10-7-14-28(19-22)23-11-15-27(16-12-23)24-17-20-8-5-6-9-21(20)18-24/h5-6,8-9,22-24H,3-4,7,10-19H2,1-2H3/p+2/t22-/m0/s1