[(3S,4S)-1-cyclobutylcarbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]azanium

Systemtic Name: [(3S,4S)-1-cyclobutylcarbonyl-4-oxidanyl-pyrrolidin-3-yl]-methyl-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)methyl-[(3S,4S)-1-(cyclobutanecarbonyl)-4-hydroxy-pyrrolidin-3-yl]-methyl-ammonium CAS Name: [(3S,4S)-1-[cyclobutyl(oxo)methyl]-4-hydroxy-3-pyrrolidinyl]-methyl-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)methyl-[(3S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidin-3-yl]-methylazanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)methyl-[(3S,4S)-1-(cyclobutanecarbonyl)-4-hydroxy-pyrrolidin-3-yl]-methyl-ammonium Formula: C23H37N3O2+2 MolecularWeight: 387.55878

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2)C3CN(CC3O)C(=O)C4CCC4

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2)[C@H]3CN(C[C@@H]3O)C(=O)C4CCC4

InChI

InChI=1S/C23H35N3O2/c1-24(21-16-26(17-22(21)27)23(28)20-8-5-9-20)14-19-10-12-25(13-11-19)15-18-6-3-2-4-7-18/h2-4,6-7,19-22,27H,5,8-17H2,1H3/p+2/t21-,22-/m0/s1