1H-indol-2-yl-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1H-indol-2-yl-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1H-indol-2-yl-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 1H-indol-2-yl-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1H-indol-2-yl-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1H-indol-2-yl-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O/c1-16-6-2-3-8-18(16)15-23-10-12-24(13-11-23)21(25)20-14-17-7-4-5-9-19(17)22-20/h2-9,14,22H,10-13,15H2,1H3/p+1