(2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-N-methyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-N-methyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-1-indan-2-yl-N-methyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethyl-4-piperidin-1-iumyl)amino]-N-methyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-1-(2,3-dihydro-1H-inden-2-yl)-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-N-methylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-1-indan-2-yl-N-methyl-pyrrolidin-1-ium-2-carboxamide Formula: C22H36N4O+2 MolecularWeight: 372.54744

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC2CC([NH+](C2)C3CC4=CC=CC=C4C3)C(=O)NC

Isomeric SMILES

CC[NH+]1CCC(CC1)N[C@H]2C[C@H]([NH+](C2)C3CC4=CC=CC=C4C3)C(=O)NC

InChI

InChI=1S/C22H34N4O/c1-3-25-10-8-18(9-11-25)24-19-14-21(22(27)23-2)26(15-19)20-12-16-6-4-5-7-17(16)13-20/h4-7,18-21,24H,3,8-15H2,1-2H3,(H,23,27)/p+2/t19-,21-/m0/s1