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

Systemtic Name: aminocarbonyl-heptyl-[[4-(3-methylbutyl)phenyl]methyl]-quinolin-5-yl-azanium Openeye Name: carbamoyl-heptyl-[(4-isopentylphenyl)methyl]-(5-quinolyl)ammonium CAS Name: carbamoyl-heptyl-[[4-(3-methylbutyl)phenyl]methyl]-(5-quinolinyl)ammonium IUPAC Name: carbamoyl-heptyl-[[4-(3-methylbutyl)phenyl]methyl]-quinolin-5-ylazanium Traditional Name: carbamoyl-heptyl-(4-isoamylbenzyl)-(5-quinolyl)ammonium Formula: C29H40N3O+ MolecularWeight: 446.6474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O/c1-4-5-6-7-8-21-32(29(30)33,28-13-9-12-27-26(28)11-10-20-31-27)22-25-18-16-24(17-19-25)15-14-23(2)3/h9-13,16-20,23H,4-8,14-15,21-22H2,1-3H3,(H-,30,33)/p+1