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

Systemtic Name: aminocarbonyl-heptyl-isoquinolin-5-yl-[[4-(3-methylbutyl)phenyl]methyl]azanium Openeye Name: carbamoyl-heptyl-[(4-isopentylphenyl)methyl]-(5-isoquinolyl)ammonium CAS Name: carbamoyl-heptyl-(5-isoquinolinyl)-[[4-(3-methylbutyl)phenyl]methyl]ammonium IUPAC Name: carbamoyl-heptyl-isoquinolin-5-yl-[[4-(3-methylbutyl)phenyl]methyl]azanium Traditional Name: carbamoyl-heptyl-(4-isoamylbenzyl)-(5-isoquinolyl)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=CN=C3)C(=O)N

Isomeric SMILES

CCCCCCC[N+](CC1=CC=C(C=C1)CCC(C)C)(C2=CC=CC3=C2C=CN=C3)C(=O)N

InChI

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