2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C25H36N4O2+2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3CC[NH+](C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34N4O2/c1-2-31-24-11-7-6-10-23(24)29-16-14-27(15-17-29)20-25(30)26-22-12-13-28(19-22)18-21-8-4-3-5-9-21/h3-11,22H,2,12-20H2,1H3,(H,26,30)/p+2/t22-/m0/s1