6-(3-azanyl-4-methoxy-phenyl)hexyl-diethyl-azanium; cyclopropane; methanamide; chloride

Systemtic Name: 6-(3-azanyl-4-methoxy-phenyl)hexyl-diethyl-azanium; cyclopropane; methanamide; chloride Openeye Name: 6-(3-amino-4-methoxy-phenyl)hexyl-diethyl-ammonium; cyclopropane; formamide; chloride CAS Name: 6-(3-amino-4-methoxyphenyl)hexyl-diethylammonium; cyclopropane; formamide; chloride IUPAC Name: 6-(3-amino-4-methoxyphenyl)hexyl-diethylazanium; cyclopropane; formamide; chloride Traditional Name: 6-(3-amino-4-methoxy-phenyl)hexyl-diethyl-ammonium; cyclopropane; formamide; chloride Formula: C21H40ClN3O2 MolecularWeight: 402.0142

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCCCCC1=CC(=C(C=C1)OC)N.C1CC1.C(=O)N.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCCCCC1=CC(=C(C=C1)OC)N.C1CC1.C(=O)N.[Cl-]

InChI

InChI=1S/C17H30N2O.C3H6.CH3NO.ClH/c1-4-19(5-2)13-9-7-6-8-10-15-11-12-17(20-3)16(18)14-15;1-2-3-1;2-1-3;/h11-12,14H,4-10,13,18H2,1-3H3;1-3H2;1H,(H2,2,3);1H