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

Systemtic Name: [4-[(3S)-3-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]-cyclopropyl-methanone Openeye Name: [4-[(3S)-3-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-1-piperidyl]-cyclopropyl-methanone CAS Name: [4-[(3S)-3-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-piperidinyl]-cyclopropylmethanone IUPAC Name: [4-[(3S)-3-(azepane-1-carbonyl)piperidin-1-ium-1-yl]piperidin-1-yl]-cyclopropylmethanone Traditional Name: [4-[(3S)-3-(azepane-1-carbonyl)piperidin-1-ium-1-yl]piperidino]-cyclopropyl-methanone Formula: C21H36N3O2+ MolecularWeight: 362.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H35N3O2/c25-20(17-7-8-17)23-14-9-19(10-15-23)24-13-5-6-18(16-24)21(26)22-11-3-1-2-4-12-22/h17-19H,1-16H2/p+1/t18-/m0/s1