2-[1-azanyl-2-(N'-propylcarbamimidoyl)-3,4-dihydro-1H-naphthalen-2-yl]ethanoyl benzoate hydrochloride

Systemtic Name: 2-[1-azanyl-2-(N'-propylcarbamimidoyl)-3,4-dihydro-1H-naphthalen-2-yl]ethanoyl benzoate hydrochloride Openeye Name: [2-[1-amino-2-(N'-propylcarbamimidoyl)tetralin-2-yl]acetyl] benzoate hydrochloride CAS Name: benzoic acid [2-[1-amino-2-[amino(propylimino)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-1-oxoethyl] ester hydrochloride IUPAC Name: [2-[1-amino-2-(N'-propylcarbamimidoyl)-3,4-dihydro-1H-naphthalen-2-yl]acetyl] benzoate hydrochloride Traditional Name: benzoic acid [2-[1-amino-2-(N'-propylamidino)tetralin-2-yl]acetyl] ester hydrochloride Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C1(CCC2=CC=CC=C2C1N)CC(=O)OC(=O)C3=CC=CC=C3)N.Cl

Isomeric SMILES

CCCN=C(C1(CCC2=CC=CC=C2C1N)CC(=O)OC(=O)C3=CC=CC=C3)N.Cl

InChI

InChI=1S/C23H27N3O3.ClH/c1-2-14-26-22(25)23(13-12-16-8-6-7-11-18(16)20(23)24)15-19(27)29-21(28)17-9-4-3-5-10-17;/h3-11,20H,2,12-15,24H2,1H3,(H2,25,26);1H