1-[4-[4-(methoxymethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]isoquinolin-2-ium

Systemtic Name: 1-[4-[4-(methoxymethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]isoquinolin-2-ium Openeye Name: 1-[4-[4-(methoxymethyl)triazol-1-yl]-1-piperidyl]isoquinolin-2-ium CAS Name: 1-[4-[4-(methoxymethyl)-1-triazolyl]-1-piperidinyl]isoquinolin-2-ium IUPAC Name: 1-[4-[4-(methoxymethyl)triazol-1-yl]piperidin-1-yl]isoquinolin-2-ium Traditional Name: 1-[4-[4-(methoxymethyl)triazol-1-yl]piperidino]isoquinolin-2-ium Formula: C18H22N5O+ MolecularWeight: 324.40018

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CN(N=N1)C2CCN(CC2)C3=[NH+]C=CC4=CC=CC=C43

Isomeric SMILES

COCC1=CN(N=N1)C2CCN(CC2)C3=[NH+]C=CC4=CC=CC=C43

InChI

InChI=1S/C18H21N5O/c1-24-13-15-12-23(21-20-15)16-7-10-22(11-8-16)18-17-5-3-2-4-14(17)6-9-19-18/h2-6,9,12,16H,7-8,10-11,13H2,1H3/p+1