ethyl-[(3S)-1-(5-methoxycarbonylpyridin-2-yl)carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[(3S)-1-(5-methoxycarbonylpyridin-2-yl)carbonylpiperidin-3-yl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(3S)-1-(5-methoxycarbonylpyridine-2-carbonyl)-3-piperidyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(3S)-1-[(5-methoxycarbonyl-2-pyridinyl)-oxomethyl]-3-piperidinyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(3S)-1-(5-methoxycarbonylpyridine-2-carbonyl)piperidin-3-yl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-1-(5-carbomethoxypicolinoyl)-3-piperidyl]-ethyl-(4-pyridylmethyl)ammonium Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)C2CCCN(C2)C(=O)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)[C@H]2CCCN(C2)C(=O)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H26N4O3/c1-3-24(14-16-8-10-22-11-9-16)18-5-4-12-25(15-18)20(26)19-7-6-17(13-23-19)21(27)28-2/h6-11,13,18H,3-5,12,14-15H2,1-2H3/p+1/t18-/m0/s1