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

Systemtic Name: 1-[[1-[6-[methyl(3-methylbutyl)amino]pyridin-1-ium-3-yl]carbonylpiperidin-4-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[1-[6-[isopentyl(methyl)amino]pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]pyrrolidin-2-one CAS Name: 1-[[1-[[6-[methyl(3-methylbutyl)amino]-3-pyridin-1-iumyl]-oxomethyl]-4-piperidinyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[1-[6-[methyl(3-methylbutyl)amino]pyridin-1-ium-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[1-[6-[isoamyl(methyl)amino]pyridin-1-ium-3-carbonyl]-4-piperidyl]methyl]-2-pyrrolidone Formula: C22H35N4O2+ MolecularWeight: 387.5389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2/c1-17(2)8-12-24(3)20-7-6-19(15-23-20)22(28)25-13-9-18(10-14-25)16-26-11-4-5-21(26)27/h6-7,15,17-18H,4-5,8-14,16H2,1-3H3/p+1