[(4R)-1-[(3-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(4R)-1-[(3-methoxyphenyl)methyl]-7-oxidanylidene-azepan-4-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(4R)-1-[(3-methoxyphenyl)methyl]-7-oxo-azepan-4-yl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(4R)-1-[(3-methoxyphenyl)methyl]-7-oxo-4-azepanyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(4R)-1-[(3-methoxyphenyl)methyl]-7-oxoazepan-4-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(4R)-7-keto-1-m-anisyl-azepan-4-yl]-methyl-(3-thenyl)ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)C2CCC(=O)N(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

C[NH+](CC1=CSC=C1)[C@@H]2CCC(=O)N(CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H26N2O2S/c1-21(13-17-9-11-25-15-17)18-6-7-20(23)22(10-8-18)14-16-4-3-5-19(12-16)24-2/h3-5,9,11-12,15,18H,6-8,10,13-14H2,1-2H3/p+1/t18-/m1/s1