(4-prop-2-ynoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-prop-2-ynoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-prop-2-ynoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-prop-2-ynoxyphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-prop-2-ynoxyphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-propargyloxyphenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C19H20N3O2+ MolecularWeight: 322.381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C#CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H19N3O2/c1-2-15-24-17-8-6-16(7-9-17)19(23)22-13-11-21(12-14-22)18-5-3-4-10-20-18/h1,3-10H,11-15H2/p+1