3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoate dihydrochloride

Systemtic Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoate dihydrochloride Openeye Name: 3-(7-carbamimidoyl-2-naphthyl)-2-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]propanoate dihydrochloride CAS Name: 3-(7-carbamimidoyl-2-naphthalenyl)-2-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]propanoate dihydrochloride IUPAC Name: 3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]propanoate dihydrochloride Traditional Name: 2-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-3-(7-amidino-2-naphthyl)propionate dihydrochloride Formula: C27H31Cl2N4O3- MolecularWeight: 530.46604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)[O-].Cl.Cl

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)[O-].Cl.Cl

InChI

InChI=1S/C27H30N4O3.2ClH/c1-17(28)31-12-10-24(11-13-31)34-23-8-6-20(7-9-23)25(27(32)33)15-18-2-3-19-4-5-21(26(29)30)16-22(19)14-18;;/h2-9,14,16,24-25,28H,10-13,15H2,1H3,(H3,29,30)(H,32,33);2*1H/p-1