1-methyl-5-nitro-3-phenyl-2-(piperidin-1-ylmethyl)indole hydrochloride

Systemtic Name: 1-methyl-5-nitro-3-phenyl-2-(piperidin-1-ylmethyl)indole hydrochloride Openeye Name: 1-methyl-5-nitro-3-phenyl-2-(1-piperidylmethyl)indole hydrochloride CAS Name: 1-methyl-5-nitro-3-phenyl-2-(1-piperidinylmethyl)indole hydrochloride IUPAC Name: 1-methyl-5-nitro-3-phenyl-2-(piperidin-1-ylmethyl)indole hydrochloride Traditional Name: 1-methyl-5-nitro-3-phenyl-2-(piperidinomethyl)indole hydrochloride Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CN3CCCCC3)C4=CC=CC=C4.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CN3CCCCC3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C21H23N3O2.ClH/c1-22-19-11-10-17(24(25)26)14-18(19)21(16-8-4-2-5-9-16)20(22)15-23-12-6-3-7-13-23;/h2,4-5,8-11,14H,3,6-7,12-13,15H2,1H3;1H