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

Systemtic Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-propan-2-yl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-N-isopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-N-propan-2-yl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-propan-2-ylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)-N-isopropyl-piperidin-1-ium-3-carboxamide Formula: C23H37N3O+2 MolecularWeight: 371.55938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O/c1-17(2)24-23(27)20-8-5-11-26(16-20)21-9-12-25(13-10-21)22-14-18-6-3-4-7-19(18)15-22/h3-4,6-7,17,20-22H,5,8-16H2,1-2H3,(H,24,27)/p+2/t20-/m0/s1