2-[[(4R)-1-[(3-chlorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]-ethyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[(4R)-1-[(3-chlorophenyl)methyl]-7-oxidanylidene-azepan-4-yl]-ethyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[(4R)-1-[(3-chlorophenyl)methyl]-7-oxo-azepan-4-yl]-ethyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[(4R)-1-[(3-chlorophenyl)methyl]-7-oxo-4-azepanyl]-ethylamino]ethyl-diethylammonium IUPAC Name: 2-[[(4R)-1-[(3-chlorophenyl)methyl]-7-oxoazepan-4-yl]-ethylamino]ethyl-diethylazanium Traditional Name: 2-[[(4R)-1-(3-chlorobenzyl)-7-keto-azepan-4-yl]-ethyl-amino]ethyl-diethyl-ammonium Formula: C21H35ClN3O+ MolecularWeight: 380.9751

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC)C1CCC(=O)N(CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC[NH+](CC)CCN(CC)[C@@H]1CCC(=O)N(CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H34ClN3O/c1-4-23(5-2)14-15-24(6-3)20-10-11-21(26)25(13-12-20)17-18-8-7-9-19(22)16-18/h7-9,16,20H,4-6,10-15,17H2,1-3H3/p+1/t20-/m1/s1