1H-indol-6-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1H-indol-6-yl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(1H-indol-6-yl)methanone CAS Name: 1H-indol-6-yl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(1H-indol-6-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(1H-indol-6-yl)methanone Formula: C20H22N3O+ MolecularWeight: 320.40818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C=CN4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C=CN4

InChI

InChI=1S/C20H21N3O/c24-20(18-7-6-17-8-9-21-19(17)14-18)23-12-10-22(11-13-23)15-16-4-2-1-3-5-16/h1-9,14,21H,10-13,15H2/p+1