2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxyethyl 1-carbamimidoyl-4-methyl-piperidine-4-carboxylate

Systemtic Name: 2-[3-[bis(azanyl)methylidene]-6-oxidanylidene-cyclohexa-1,4-dien-1-yl]oxyethyl 1-carbamimidoyl-4-methyl-piperidine-4-carboxylate Openeye Name: 2-[3-(diaminomethylene)-6-oxo-cyclohexa-1,4-dien-1-yl]oxyethyl 1-carbamimidoyl-4-methyl-piperidine-4-carboxylate CAS Name: 1-carbamimidoyl-4-methyl-4-piperidinecarboxylic acid 2-[[3-(diaminomethylidene)-6-oxo-1-cyclohexa-1,4-dienyl]oxy]ethyl ester IUPAC Name: 2-[3-(diaminomethylidene)-6-oxocyclohexa-1,4-dien-1-yl]oxyethyl 1-carbamimidoyl-4-methylpiperidine-4-carboxylate Traditional Name: 1-amidino-4-methyl-isonipecotic acid 2-[3-(diaminomethylene)-6-keto-cyclohexa-1,4-dien-1-yl]oxyethyl ester Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(CC1)C(=N)N)C(=O)OCCOC2=CC(=C(N)N)C=CC2=O

Isomeric SMILES

CC1(CCN(CC1)C(=N)N)C(=O)OCCOC2=CC(=C(N)N)C=CC2=O

InChI

InChI=1S/C17H25N5O4/c1-17(4-6-22(7-5-17)16(20)21)15(24)26-9-8-25-13-10-11(14(18)19)2-3-12(13)23/h2-3,10H,4-9,18-19H2,1H3,(H3,20,21)