3-[1-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylpiperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[1-(1-methyl-6-oxidanylidene-pyridazin-3-yl)carbonylpiperidin-4-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(1-methyl-6-oxo-pyridazine-3-carbonyl)-4-piperidyl]propanamide CAS Name: 3-[1-[(1-methyl-6-oxo-3-pyridazinyl)-oxomethyl]-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(6-keto-1-methyl-pyridazine-3-carbonyl)-4-piperidyl]propionamide Formula: C25H34N5O3+ MolecularWeight: 452.56916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=CC(=N1)C(=O)N2CCC(CC2)CCC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C=CC(=N1)C(=O)N2CCC(CC2)CCC(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O3/c1-28-24(32)10-8-22(27-28)25(33)30-15-11-19(12-16-30)7-9-23(31)26-21-13-14-29(18-21)17-20-5-3-2-4-6-20/h2-6,8,10,19,21H,7,9,11-18H2,1H3,(H,26,31)/p+1/t21-/m0/s1