2-[(4-chloranylphenoxy)methyl]-1-methyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole hydrochloride

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-1-methyl-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]indole hydrochloride Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-[(4-chlorophenoxy)methyl]-1-methyl-indole hydrochloride CAS Name: 2-[(4-chlorophenoxy)methyl]-1-methyl-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]indole hydrochloride IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-[(4-chlorophenoxy)methyl]-1-methylindole hydrochloride Traditional Name: 3-[(4-benzylpiperazino)methyl]-2-[(4-chlorophenoxy)methyl]-1-methyl-indole hydrochloride Formula: C28H31Cl2N3O MolecularWeight: 496.47124

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1COC3=CC=C(C=C3)Cl)CN4CCN(CC4)CC5=CC=CC=C5.Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1COC3=CC=C(C=C3)Cl)CN4CCN(CC4)CC5=CC=CC=C5.Cl

InChI

InChI=1S/C28H30ClN3O.ClH/c1-30-27-10-6-5-9-25(27)26(28(30)21-33-24-13-11-23(29)12-14-24)20-32-17-15-31(16-18-32)19-22-7-3-2-4-8-22;/h2-14H,15-21H2,1H3;1H