[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-[(3S)-oxolan-3-yl]azanium

Systemtic Name: [1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]-[(3S)-oxolan-3-yl]azanium Openeye Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-[(3S)-tetrahydrofuran-3-yl]ammonium CAS Name: [1-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-piperidinyl]-[(3S)-3-oxolanyl]ammonium IUPAC Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]piperidin-4-yl]-[(3S)-oxolan-3-yl]azanium Traditional Name: [1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]-[(3S)-tetrahydrofuran-3-yl]ammonium Formula: C22H36N4O2+2 MolecularWeight: 388.54684

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+]C4CCOC4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH2+][C@H]4CCOC4

InChI

InChI=1S/C22H34N4O2/c1-2-24-12-14-26(15-13-24)22(27)18-3-5-21(6-4-18)25-10-7-19(8-11-25)23-20-9-16-28-17-20/h3-6,19-20,23H,2,7-17H2,1H3/p+2/t20-/m0/s1