[(5R)-5-(azocan-1-ium-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [(5R)-5-(azocan-1-ium-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-yl-methanone Openeye Name: [(5R)-1-allyl-5-(azocan-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-(1-piperidyl)methanone CAS Name: [(5R)-5-(1-azocan-1-iumyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-(1-piperidinyl)methanone IUPAC Name: [(5R)-5-(azocan-1-ium-1-yl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone Traditional Name: [(5R)-1-allyl-5-(azocan-1-ium-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-piperidino-methanone Formula: C23H37N4O+ MolecularWeight: 385.56608

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH+]3CCCCCCC3)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH+]3CCCCCCC3)C(=N1)C(=O)N4CCCCC4

InChI

InChI=1S/C23H36N4O/c1-2-13-27-21-12-11-19(25-14-7-4-3-5-8-15-25)18-20(21)22(24-27)23(28)26-16-9-6-10-17-26/h2,19H,1,3-18H2/p+1/t19-/m1/s1