[(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-1-(1-indan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidino-methanone Formula: C24H37N3O+2 MolecularWeight: 383.57008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C24H35N3O/c28-24(26-11-3-4-12-26)21-8-5-13-27(18-21)22-9-14-25(15-10-22)23-16-19-6-1-2-7-20(19)17-23/h1-2,6-7,21-23H,3-5,8-18H2/p+2/t21-/m0/s1