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

Systemtic Name: (3R)-4-[(3-methoxyphenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-4-[(3-methoxyphenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-4-[(3-methoxyphenyl)methyl]-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-4-[(3-methoxyphenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-methylpiperazino)ethyl]-4-m-anisyl-piperazin-4-ium-2-one Formula: C19H29N4O3+ MolecularWeight: 361.45856

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC

Isomeric SMILES

CN1CCN(CC1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC

InChI

InChI=1S/C19H28N4O3/c1-21-8-10-22(11-9-21)18(24)13-17-19(25)20-6-7-23(17)14-15-4-3-5-16(12-15)26-2/h3-5,12,17H,6-11,13-14H2,1-2H3,(H,20,25)/p+1/t17-/m1/s1