[6-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

Systemtic Name: [6-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Openeye Name: [6-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)-1-piperidyl]methanone CAS Name: [6-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]-[4-[2-(1-pyrazolyl)ethyl]-1-piperidinyl]methanone IUPAC Name: [6-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone Traditional Name: [6-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]-[4-(2-pyrazol-1-ylethyl)piperidino]methanone Formula: C21H30N5O2+ MolecularWeight: 384.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=[NH+]C=C(C=C2)C(=O)N3CCC(CC3)CCN4C=CC=N4)O

InChI

InChI=1S/C21H29N5O2/c27-19-3-1-10-25(16-19)20-5-4-18(15-22-20)21(28)24-12-6-17(7-13-24)8-14-26-11-2-9-23-26/h2,4-5,9,11,15,17,19,27H,1,3,6-8,10,12-14,16H2/p+1/t19-/m0/s1