(3-methyl-4-nitro-phenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O3/c1-16(2)19-6-4-18(5-7-19)15-23-10-12-24(13-11-23)22(26)20-8-9-21(25(27)28)17(3)14-20/h4-9,14,16H,10-13,15H2,1-3H3/p+1