N-[4-(aminomethyl)phenoxy]-N-carbamimidoyl-4-chloranyl-1-methyl-indole-2-carboxamide dihydrochloride

Systemtic Name: N-[4-(aminomethyl)phenoxy]-N-carbamimidoyl-4-chloranyl-1-methyl-indole-2-carboxamide dihydrochloride Openeye Name: N-[4-(aminomethyl)phenoxy]-N-carbamimidoyl-4-chloro-1-methyl-indole-2-carboxamide dihydrochloride CAS Name: N-[4-(aminomethyl)phenoxy]-N-carbamimidoyl-4-chloro-1-methyl-2-indolecarboxamide dihydrochloride IUPAC Name: N-[4-(aminomethyl)phenoxy]-N-carbamimidoyl-4-chloro-1-methylindole-2-carboxamide dihydrochloride Traditional Name: N-amidino-N-[4-(aminomethyl)phenoxy]-4-chloro-1-methyl-indole-2-carboxamide dihydrochloride Formula: C18H20Cl3N5O2 MolecularWeight: 444.7427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C1C(=O)N(C(=N)N)OC3=CC=C(C=C3)CN)C(=CC=C2)Cl.Cl.Cl

Isomeric SMILES

CN1C2=C(C=C1C(=O)N(C(=N)N)OC3=CC=C(C=C3)CN)C(=CC=C2)Cl.Cl.Cl

InChI

InChI=1S/C18H18ClN5O2.2ClH/c1-23-15-4-2-3-14(19)13(15)9-16(23)17(25)24(18(21)22)26-12-7-5-11(10-20)6-8-12;;/h2-9H,10,20H2,1H3,(H3,21,22);2*1H