[4-[(3S)-3-(azocan-1-ylcarbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]-cyclopropyl-methanone

Systemtic Name: [4-[(3S)-3-(azocan-1-ylcarbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]-cyclopropyl-methanone Openeye Name: [4-[(3S)-3-(azocane-1-carbonyl)piperidin-1-ium-1-yl]-1-piperidyl]-cyclopropyl-methanone CAS Name: [4-[(3S)-3-[1-azocanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-piperidinyl]-cyclopropylmethanone IUPAC Name: [4-[(3S)-3-(azocane-1-carbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]-cyclopropylmethanone Traditional Name: [4-[(3S)-3-(azocane-1-carbonyl)piperidin-1-ium-1-yl]piperidino]-cyclopropyl-methanone Formula: C22H38N3O2+ MolecularWeight: 376.55602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C1CCCN(CCC1)C(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C22H37N3O2/c26-21(18-8-9-18)24-15-10-20(11-16-24)25-14-6-7-19(17-25)22(27)23-12-4-2-1-3-5-13-23/h18-20H,1-17H2/p+1/t19-/m0/s1