(3-azanyl-3-oxidanylidene-propyl)-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl)-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Openeye Name: (3-amino-3-oxo-propyl)-ethyl-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methyl]ammonium CAS Name: (3-amino-3-oxopropyl)-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ammonium IUPAC Name: (3-amino-3-oxopropyl)-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium Traditional Name: (3-amino-3-keto-propyl)-ethyl-[3-methoxy-4-(2-thenyloxy)benzyl]ammonium Formula: C18H25N2O3S+ MolecularWeight: 349.4677

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCC(=O)N)CC1=CC(=C(C=C1)OCC2=CC=CS2)OC

Isomeric SMILES

CC[NH+](CCC(=O)N)CC1=CC(=C(C=C1)OCC2=CC=CS2)OC

InChI

InChI=1S/C18H24N2O3S/c1-3-20(9-8-18(19)21)12-14-6-7-16(17(11-14)22-2)23-13-15-5-4-10-24-15/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H2,19,21)/p+1