N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-oxidanylidene-3H-benzimidazol-1-yl)propanamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-oxidanylidene-3H-benzimidazol-1-yl)propanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(2-keto-3H-benzimidazol-1-yl)propionamide Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H32N4O2/c27-21(13-15-26-20-12-6-5-11-19(20)24-22(26)28)23-17-8-7-14-25(16-17)18-9-3-1-2-4-10-18/h5-6,11-12,17-18H,1-4,7-10,13-16H2,(H,23,27)(H,24,28)/p+1/t17-/m0/s1