5-(4-methylpiperidin-1-yl)carbonyl-4-oxidanylidene-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-propan-2-yl-pyridine-3-carboxamide

Systemtic Name: 5-(4-methylpiperidin-1-yl)carbonyl-4-oxidanylidene-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-1-propan-2-yl-pyridine-3-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-isopropyl-5-(4-methylpiperidine-1-carbonyl)-4-oxo-pyridine-3-carboxamide CAS Name: 5-[(4-methyl-1-piperidinyl)-oxomethyl]-4-oxo-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-(4-methylpiperidine-1-carbonyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-1-isopropyl-4-keto-5-(4-methylpiperidine-1-carbonyl)nicotinamide Formula: C27H37N4O3+ MolecularWeight: 465.60768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=CN(C=C(C2=O)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=CN(C=C(C2=O)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H36N4O3/c1-19(2)31-17-23(25(32)24(18-31)27(34)30-13-9-20(3)10-14-30)26(33)28-22-11-12-29(16-22)15-21-7-5-4-6-8-21/h4-8,17-20,22H,9-16H2,1-3H3,(H,28,33)/p+1/t22-/m0/s1