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

Systemtic Name: methyl-[(4R)-7-oxidanylidene-1-(phenylmethyl)azepan-4-yl]-(thiophen-3-ylmethyl)azanium Openeye Name: [(4R)-1-benzyl-7-oxo-azepan-4-yl]-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[(4R)-7-oxo-1-(phenylmethyl)-4-azepanyl]-(3-thiophenylmethyl)ammonium IUPAC Name: [(4R)-1-benzyl-7-oxoazepan-4-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(4R)-1-benzyl-7-keto-azepan-4-yl]-methyl-(3-thenyl)ammonium Formula: C19H25N2OS+ MolecularWeight: 329.4796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2OS/c1-20(13-17-10-12-23-15-17)18-7-8-19(22)21(11-9-18)14-16-5-3-2-4-6-16/h2-6,10,12,15,18H,7-9,11,13-14H2,1H3/p+1/t18-/m1/s1