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

Systemtic Name: (3S)-4-cyclopentyl-3-[2-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3S)-4-cyclopentyl-3-[2-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3S)-4-cyclopentyl-3-[2-[4-[(2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3S)-4-cyclopentyl-3-[2-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3S)-4-cyclopentyl-3-[2-keto-2-(4-o-anisylpiperazin-4-ium-1-yl)ethyl]piperazin-4-ium-2-one Formula: C23H36N4O3+2 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CC3C(=O)NCC[NH+]3C4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[C@H]3C(=O)NCC[NH+]3C4CCCC4

InChI

InChI=1S/C23H34N4O3/c1-30-21-9-5-2-6-18(21)17-25-12-14-26(15-13-25)22(28)16-20-23(29)24-10-11-27(20)19-7-3-4-8-19/h2,5-6,9,19-20H,3-4,7-8,10-17H2,1H3,(H,24,29)/p+2/t20-/m0/s1