aminocarbonyl-heptyl-(6-methoxyquinolin-5-yl)-[[4-(3-methylbutyl)phenyl]methyl]azanium

Systemtic Name: aminocarbonyl-heptyl-(6-methoxyquinolin-5-yl)-[[4-(3-methylbutyl)phenyl]methyl]azanium Openeye Name: carbamoyl-heptyl-[(4-isopentylphenyl)methyl]-(6-methoxy-5-quinolyl)ammonium CAS Name: carbamoyl-heptyl-(6-methoxy-5-quinolinyl)-[[4-(3-methylbutyl)phenyl]methyl]ammonium IUPAC Name: carbamoyl-heptyl-(6-methoxyquinolin-5-yl)-[[4-(3-methylbutyl)phenyl]methyl]azanium Traditional Name: carbamoyl-heptyl-(4-isoamylbenzyl)-(6-methoxy-5-quinolyl)ammonium Formula: C30H42N3O2+ MolecularWeight: 476.67338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC1=CC=C(C=C1)CCC(C)C)(C2=C(C=CC3=C2C=CC=N3)OC)C(=O)N

Isomeric SMILES

CCCCCCC[N+](CC1=CC=C(C=C1)CCC(C)C)(C2=C(C=CC3=C2C=CC=N3)OC)C(=O)N

InChI

InChI=1S/C30H41N3O2/c1-5-6-7-8-9-21-33(30(31)34,22-25-16-14-24(15-17-25)13-12-23(2)3)29-26-11-10-20-32-27(26)18-19-28(29)35-4/h10-11,14-20,23H,5-9,12-13,21-22H2,1-4H3,(H-,31,34)/p+1