[(4R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-phenethyl-azanium

Systemtic Name: [(4R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-phenethyl-azanium Openeye Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-azepan-4-yl]-methyl-phenethyl-ammonium CAS Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxo-4-azepanyl]-methyl-phenethylammonium IUPAC Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-oxoazepan-4-yl]-methyl-phenethylazanium Traditional Name: [(4R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-7-keto-azepan-4-yl]-methyl-phenethyl-ammonium Formula: C23H28ClN2O3+ MolecularWeight: 415.93302

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@@H]2CCC(=O)N(CC2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C23H27ClN2O3/c1-25(11-9-17-5-3-2-4-6-17)19-7-8-23(27)26(12-10-19)15-18-13-21-22(14-20(18)24)29-16-28-21/h2-6,13-14,19H,7-12,15-16H2,1H3/p+1/t19-/m1/s1