[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-quinolin-5-yl-methanone

Systemtic Name: [4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-quinolin-5-yl-methanone Openeye Name: [4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-(5-quinolyl)methanone CAS Name: [4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]-(5-quinolinyl)methanone IUPAC Name: [4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]-quinolin-5-ylmethanone Traditional Name: [4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-(5-quinolyl)methanone Formula: C24H28N3O+ MolecularWeight: 374.49862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C4C=CC=NC4=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C24H27N3O/c1-18(2)20-10-8-19(9-11-20)17-26-13-15-27(16-14-26)24(28)22-5-3-7-23-21(22)6-4-12-25-23/h3-12,18H,13-17H2,1-2H3/p+1