1-[5-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CN3)C(=O)C

InChI

InChI=1S/C21H27N3O2/c1-15(2)18-6-4-17(5-7-18)14-23-8-10-24(11-9-23)21(26)20-12-19(13-22-20)16(3)25/h4-7,12-13,15,22H,8-11,14H2,1-3H3/p+1