N-cyclopropyl-2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H29N4O2+ MolecularWeight: 357.46986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H28N4O2/c25-19(21-18-5-6-18)14-22-9-11-23(12-10-22)15-20(26)24-8-7-16-3-1-2-4-17(16)13-24/h1-4,18H,5-15H2,(H,21,25)/p+1