5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1H-indole-3-carbaldehyde

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1H-indole-3-carbaldehyde Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1H-indole-3-carbaldehyde CAS Name: 5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1H-indole-3-carboxaldehyde IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1H-indole-3-carbaldehyde Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1H-indole-3-carbaldehyde Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC=C4C=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)NC=C4C=O

InChI

InChI=1S/C20H21N3O3S/c24-15-17-13-21-20-7-6-18(12-19(17)20)27(25,26)23-10-8-22(9-11-23)14-16-4-2-1-3-5-16/h1-7,12-13,15,21H,8-11,14H2/p+1