1-[[1-[6-(3-methylbutylamino)pyridin-1-ium-3-yl]carbonylpiperidin-4-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[1-[6-(3-methylbutylamino)pyridin-1-ium-3-yl]carbonylpiperidin-4-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[1-[6-(isopentylamino)pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]pyrrolidin-2-one CAS Name: 1-[[1-[[6-(3-methylbutylamino)-3-pyridin-1-iumyl]-oxomethyl]-4-piperidinyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[1-[6-(3-methylbutylamino)pyridin-1-ium-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[1-[6-(isoamylamino)pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]-2-pyrrolidone Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)CN3CCCC3=O

Isomeric SMILES

CC(C)CCNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)CN3CCCC3=O

InChI

InChI=1S/C21H32N4O2/c1-16(2)7-10-22-19-6-5-18(14-23-19)21(27)24-12-8-17(9-13-24)15-25-11-3-4-20(25)26/h5-6,14,16-17H,3-4,7-13,15H2,1-2H3,(H,22,23)/p+1