S-[3-[bis(azanyl)methylideneamino]propyl] 4-butoxybenzenecarbothioate; bis(oxidanyl)-oxidanylidene-azanium

Systemtic Name: S-[3-[bis(azanyl)methylideneamino]propyl] 4-butoxybenzenecarbothioate; bis(oxidanyl)-oxidanylidene-azanium Openeye Name: dihydroxy(oxo)ammonium; S-(3-guanidinopropyl) 4-butoxybenzenecarbothioate CAS Name: 4-butoxybenzenecarbothioic acid S-[3-(diaminomethylideneamino)propyl] ester; dihydroxy(oxo)ammonium IUPAC Name: S-[3-(diaminomethylideneamino)propyl] 4-butoxybenzenecarbothioate; dihydroxy(oxo)azanium Traditional Name: 4-butoxythiobenzoic acid S-(3-guanidinopropyl) ester; dihydroxy(keto)ammonium Formula: C15H25N4O5S+ MolecularWeight: 373.4478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)SCCCN=C(N)N.[N+](=O)(O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)SCCCN=C(N)N.[N+](=O)(O)O

InChI

InChI=1S/C15H23N3O2S.H2NO3/c1-2-3-10-20-13-7-5-12(6-8-13)14(19)21-11-4-9-18-15(16)17;2-1(3)4/h5-8H,2-4,9-11H2,1H3,(H4,16,17,18);(H2,2,3,4)/q;+1