[1-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butanoyl]piperidin-4-yl]azanium

Systemtic Name: [1-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butanoyl]piperidin-4-yl]azanium Openeye Name: [1-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butanoyl]-4-piperidyl]ammonium CAS Name: [1-[(2S)-3-methyl-1-oxo-2-(1-pyrrolidin-1-iumyl)butyl]-4-piperidinyl]ammonium IUPAC Name: [1-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-ylbutanoyl]piperidin-4-yl]azanium Traditional Name: [1-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butanoyl]-4-piperidyl]ammonium Formula: C14H29N3O+2 MolecularWeight: 255.39956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)[NH3+])[NH+]2CCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)[NH3+])[NH+]2CCCC2

InChI

InChI=1S/C14H27N3O/c1-11(2)13(16-7-3-4-8-16)14(18)17-9-5-12(15)6-10-17/h11-13H,3-10,15H2,1-2H3/p+2/t13-/m0/s1