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

Systemtic Name: (3R)-3-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-4-isopropyl-3-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-4-isopropyl-3-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]piperazin-4-ium-2-one Formula: C21H34N4O2+2 MolecularWeight: 374.52026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CC3C(=O)NCC[NH+]3C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C[C@@H]3C(=O)NCC[NH+]3C(C)C

InChI

InChI=1S/C21H32N4O2/c1-16(2)25-8-7-22-21(27)19(25)14-20(26)24-11-9-23(10-12-24)15-18-6-4-5-17(3)13-18/h4-6,13,16,19H,7-12,14-15H2,1-3H3,(H,22,27)/p+2/t19-/m1/s1