[1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]-1,2,3-triazol-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[1-[(4-ethoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-triazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[1-[(4-ethoxyphenyl)methyl]piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[1-(4-ethoxybenzyl)piperidin-1-ium-4-yl]triazol-4-yl]-pyrrolidino-methanone Formula: C21H30N5O2+ MolecularWeight: 384.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C=C(N=N3)C(=O)N4CCCC4

InChI

InChI=1S/C21H29N5O2/c1-2-28-19-7-5-17(6-8-19)15-24-13-9-18(10-14-24)26-16-20(22-23-26)21(27)25-11-3-4-12-25/h5-8,16,18H,2-4,9-15H2,1H3/p+1