[1-[1-[(2S)-1-methylazepan-1-ium-2-yl]carbonylpiperidin-4-yl]piperidin-1-ium-4-yl]-morpholin-4-yl-methanone

Systemtic Name: [1-[1-[(2S)-1-methylazepan-1-ium-2-yl]carbonylpiperidin-4-yl]piperidin-1-ium-4-yl]-morpholin-4-yl-methanone Openeye Name: [1-[1-[(2S)-1-methylazepan-1-ium-2-carbonyl]-4-piperidyl]piperidin-1-ium-4-yl]-morpholino-methanone CAS Name: [1-[1-[[(2S)-1-methyl-2-azepan-1-iumyl]-oxomethyl]-4-piperidinyl]-4-piperidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [1-[1-[(2S)-1-methylazepan-1-ium-2-carbonyl]piperidin-4-yl]piperidin-1-ium-4-yl]-morpholin-4-ylmethanone Traditional Name: [1-[1-[(2S)-1-methylazepan-1-ium-2-carbonyl]-4-piperidyl]piperidin-1-ium-4-yl]-morpholino-methanone Formula: C23H42N4O3+2 MolecularWeight: 422.60458

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCCC1C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCOCC4

Isomeric SMILES

C[NH+]1CCCCC[C@H]1C(=O)N2CCC(CC2)[NH+]3CCC(CC3)C(=O)N4CCOCC4

InChI

InChI=1S/C23H40N4O3/c1-24-10-4-2-3-5-21(24)23(29)26-13-8-20(9-14-26)25-11-6-19(7-12-25)22(28)27-15-17-30-18-16-27/h19-21H,2-18H2,1H3/p+2/t21-/m0/s1