2-[9-(4-carbamimidoylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]ethanoate hydrochloride

Systemtic Name: 2-[9-(4-carbamimidoylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]ethanoate hydrochloride Openeye Name: 2-[9-(4-carbamimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]acetate hydrochloride CAS Name: 2-[9-[(4-carbamimidoylphenyl)-oxomethyl]-9-azaspiro[5.5]undecan-3-yl]acetate hydrochloride IUPAC Name: 2-[9-(4-carbamimidoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]acetate hydrochloride Traditional Name: 2-[9-(4-amidinobenzoyl)-9-azaspiro[5.5]undecan-3-yl]acetate hydrochloride Formula: C20H27ClN3O3- MolecularWeight: 392.89968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1CC(=O)[O-])CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

C1CC2(CCC1CC(=O)[O-])CCN(CC2)C(=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H27N3O3.ClH/c21-18(22)15-1-3-16(4-2-15)19(26)23-11-9-20(10-12-23)7-5-14(6-8-20)13-17(24)25;/h1-4,14H,5-13H2,(H3,21,22)(H,24,25);1H/p-1