methyl-[(4R)-1-(naphthalen-2-ylmethyl)-7-oxidanylidene-azepan-4-yl]-(1,3-thiazol-2-ylmethyl)azanium

Systemtic Name: methyl-[(4R)-1-(naphthalen-2-ylmethyl)-7-oxidanylidene-azepan-4-yl]-(1,3-thiazol-2-ylmethyl)azanium Openeye Name: methyl-[(4R)-1-(2-naphthylmethyl)-7-oxo-azepan-4-yl]-(thiazol-2-ylmethyl)ammonium CAS Name: methyl-[(4R)-1-(2-naphthalenylmethyl)-7-oxo-4-azepanyl]-(2-thiazolylmethyl)ammonium IUPAC Name: methyl-[(4R)-1-(naphthalen-2-ylmethyl)-7-oxoazepan-4-yl]-(1,3-thiazol-2-ylmethyl)azanium Traditional Name: [(4R)-7-keto-1-(2-naphthylmethyl)azepan-4-yl]-methyl-(thiazol-2-ylmethyl)ammonium Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC=CS1)C2CCC(=O)N(CC2)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+](CC1=NC=CS1)[C@@H]2CCC(=O)N(CC2)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H25N3OS/c1-24(16-21-23-11-13-27-21)20-8-9-22(26)25(12-10-20)15-17-6-7-18-4-2-3-5-19(18)14-17/h2-7,11,13-14,20H,8-10,12,15-16H2,1H3/p+1/t20-/m1/s1