1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C[NH+]4CCCC4

InChI

InChI=1S/C22H34N4O2/c1-28-21-8-6-19(7-9-21)24-13-15-25(16-14-24)20-5-4-12-26(17-20)22(27)18-23-10-2-3-11-23/h6-9,20H,2-5,10-18H2,1H3/p+2/t20-/m0/s1