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

Systemtic Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-N-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(1H-imidazol-2-ylmethyl)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C24H35N5O+2 MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)C3CC4=CC=CC=C4C3)C(=O)NCC5=NC=CN5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)C3CC4=CC=CC=C4C3)C(=O)NCC5=NC=CN5

InChI

InChI=1S/C24H33N5O/c30-24(27-16-23-25-9-10-26-23)20-6-3-11-29(17-20)21-7-12-28(13-8-21)22-14-18-4-1-2-5-19(18)15-22/h1-2,4-5,9-10,20-22H,3,6-8,11-17H2,(H,25,26)(H,27,30)/p+2/t20-/m0/s1