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

Systemtic Name: azepan-1-yl-[(5R)-5-piperidin-1-ium-1-yl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Openeye Name: [(5R)-1-allyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone CAS Name: 1-azepanyl-[(5R)-5-(1-piperidin-1-iumyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone IUPAC Name: azepan-1-yl-[(5R)-5-piperidin-1-ium-1-yl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone Traditional Name: [(5R)-1-allyl-5-piperidin-1-ium-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-(azepan-1-yl)methanone Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH+]3CCCCC3)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH+]3CCCCC3)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H34N4O/c1-2-12-26-20-11-10-18(24-13-8-5-9-14-24)17-19(20)21(23-26)22(27)25-15-6-3-4-7-16-25/h2,18H,1,3-17H2/p+1/t18-/m1/s1