(3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-4-ium-1-yl)ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-4-[(4-methoxy-3-methyl-phenyl)methyl]-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-4-ium-1-yl)ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-isopropylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-[(4-methoxy-3-methyl-phenyl)methyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-[2-oxo-2-(4-propan-2-yl-1-piperazin-4-iumyl)ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(4-methoxy-3-methylphenyl)methyl]-3-[2-oxo-2-(4-propan-2-ylpiperazin-4-ium-1-yl)ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-isopropylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4-(4-methoxy-3-methyl-benzyl)piperazin-4-ium-2-one Formula: C22H36N4O3+2 MolecularWeight: 404.54624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)N3CC[NH+](CC3)C(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CC[NH+](CC3)C(C)C)OC

InChI

InChI=1S/C22H34N4O3/c1-16(2)24-9-11-25(12-10-24)21(27)14-19-22(28)23-7-8-26(19)15-18-5-6-20(29-4)17(3)13-18/h5-6,13,16,19H,7-12,14-15H2,1-4H3,(H,23,28)/p+2/t19-/m1/s1