N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-(1,2,4-triazol-1-yl)propanamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propanamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(1,2,4-triazol-1-yl)propionamide Formula: C17H30N5O+ MolecularWeight: 320.453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)CCN3C=NC=N3

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCN3C=NC=N3

InChI

InChI=1S/C17H29N5O/c23-17(9-11-22-14-18-13-19-22)20-15-6-5-10-21(12-15)16-7-3-1-2-4-8-16/h13-16H,1-12H2,(H,20,23)/p+1/t15-/m0/s1