3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-piperidin-4-yloxyphenyl)propanoate dihydrochloride

Systemtic Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-piperidin-4-yloxyphenyl)propanoate dihydrochloride Openeye Name: 3-(7-carbamimidoyl-2-naphthyl)-2-[4-(4-piperidyloxy)phenyl]propanoate dihydrochloride CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-(4-piperidinyloxy)phenyl]propanoate dihydrochloride IUPAC Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-piperidin-4-yloxyphenyl)propanoate dihydrochloride Traditional Name: 3-(7-amidino-2-naphthyl)-2-[4-(4-piperidyloxy)phenyl]propionate dihydrochloride Formula: C25H28Cl2N3O3- MolecularWeight: 489.41412

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)[O-].Cl.Cl

Isomeric SMILES

C1CNCCC1OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C25H27N3O3.2ClH/c26-24(27)19-4-3-17-2-1-16(13-20(17)15-19)14-23(25(29)30)18-5-7-21(8-6-18)31-22-9-11-28-12-10-22;;/h1-8,13,15,22-23,28H,9-12,14H2,(H3,26,27)(H,29,30);2*1H/p-1