azepan-1-yl-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S)-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanone Formula: C20H39N3O+2 MolecularWeight: 337.54316

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H37N3O/c1-2-11-21-15-9-19(10-16-21)23-14-7-8-18(17-23)20(24)22-12-5-3-4-6-13-22/h18-19H,2-17H2,1H3/p+2/t18-/m0/s1