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

Systemtic Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-prop-2-enyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-allyl-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-prop-2-enyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]-N-prop-2-enylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-allyl-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C23H35N3O+2 MolecularWeight: 369.5435

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O/c1-2-11-24-23(27)20-8-5-12-26(17-20)21-9-13-25(14-10-21)22-15-18-6-3-4-7-19(18)16-22/h2-4,6-7,20-22H,1,5,8-17H2,(H,24,27)/p+2/t20-/m0/s1