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

Systemtic Name: 1-[[1-[6-(propylamino)pyridin-1-ium-3-yl]carbonylpiperidin-4-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[1-[6-(propylamino)pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]pyrrolidin-2-one CAS Name: 1-[[1-[oxo-[6-(propylamino)-3-pyridin-1-iumyl]methyl]-4-piperidinyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[1-[6-(propylamino)pyridin-1-ium-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[1-[6-(propylamino)pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]-2-pyrrolidone Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)CN3CCCC3=O

Isomeric SMILES

CCCNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)CN3CCCC3=O

InChI

InChI=1S/C19H28N4O2/c1-2-9-20-17-6-5-16(13-21-17)19(25)22-11-7-15(8-12-22)14-23-10-3-4-18(23)24/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,20,21)/p+1