[5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(1R)-1-naphthalen-1-ylethyl]azanium

Systemtic Name: [5-azanyl-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Openeye Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thienyl]methyl-[(1R)-1-(1-naphthyl)ethyl]ammonium CAS Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)-3-thiophenyl]methyl-[(1R)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: [5-amino-4-ethoxycarbonyl-2-(methylcarbamoyl)thiophen-3-yl]methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Traditional Name: [5-amino-4-carbethoxy-2-(methylcarbamoyl)-3-thienyl]methyl-[(1R)-1-(1-naphthyl)ethyl]ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH2+]C(C)C2=CC=CC3=CC=CC=C32)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH2+][C@H](C)C2=CC=CC3=CC=CC=C32)C(=O)NC)N

InChI

InChI=1S/C22H25N3O3S/c1-4-28-22(27)18-17(19(21(26)24-3)29-20(18)23)12-25-13(2)15-11-7-9-14-8-5-6-10-16(14)15/h5-11,13,25H,4,12,23H2,1-3H3,(H,24,26)/p+1/t13-/m1/s1