(2-ethyl-3,7,8-trimethyl-quinolin-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-ethyl-3,7,8-trimethyl-quinolin-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-ethyl-3,7,8-trimethyl-4-quinolyl)methanone CAS Name: (2-ethyl-3,7,8-trimethyl-4-quinolinyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-ethyl-3,7,8-trimethylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-ethyl-3,7,8-trimethyl-4-quinolyl)methanone Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C=CC(=C(C2=N1)C)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=C(C(=C2C=CC(=C(C2=N1)C)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H31N3O/c1-5-23-20(4)24(22-12-11-18(2)19(3)25(22)27-23)26(30)29-15-13-28(14-16-29)17-21-9-7-6-8-10-21/h6-12H,5,13-17H2,1-4H3/p+1