4-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid dichloride

Systemtic Name: 4-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-pyridin-4-yl-piperidine-4-carboxylic acid dichloride Openeye Name: 4-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-(4-pyridyl)piperidine-4-carboxylic acid dichloride CAS Name: 4-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-pyridin-4-yl-4-piperidinecarboxylic acid dichloride IUPAC Name: 4-[2-[(2-carbamimidoyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-pyridin-4-ylpiperidine-4-carboxylic acid dichloride Traditional Name: 4-[2-[(2-amidino-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]-1-(4-pyridyl)isonipecotic acid dichloride Formula: C23H29Cl2N5O3-2 MolecularWeight: 494.41406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)OCCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O)C(=N)N.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)OCCC3(CCN(CC3)C4=CC=NC=C4)C(=O)O)C(=N)N.[Cl-].[Cl-]

InChI

InChI=1S/C23H29N5O3.2ClH/c24-22(25)28-11-5-17-1-2-20(15-18(17)16-28)31-14-8-23(21(29)30)6-12-27(13-7-23)19-3-9-26-10-4-19;;/h1-4,9-10,15H,5-8,11-14,16H2,(H3,24,25)(H,29,30);2*1H/p-2