cyclohexyl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: cyclohexyl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: cyclohexyl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: cyclohexyl-[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: cyclohexyl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: cyclohexyl-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4CCCCC4

InChI

InChI=1S/C23H35N3O2/c1-28-22-12-6-5-11-21(22)25-16-14-24(15-17-25)20-10-7-13-26(18-20)23(27)19-8-3-2-4-9-19/h5-6,11-12,19-20H,2-4,7-10,13-18H2,1H3/p+1/t20-/m0/s1