3-methyl-1-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]butan-1-one

Systemtic Name: 3-methyl-1-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1H-pyrrol-3-yl]butan-1-one Openeye Name: 1-[5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[5-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1H-pyrrol-3-yl]-1-butanone IUPAC Name: 1-[5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-3-methylbutan-1-one Traditional Name: 1-[5-(4-benzylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]-3-methyl-butan-1-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)C1=CNC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-16(2)12-20(25)18-13-19(22-14-18)21(26)24-10-8-23(9-11-24)15-17-6-4-3-5-7-17/h3-7,13-14,16,22H,8-12,15H2,1-2H3/p+1