[(5R)-5-(azepan-1-ium-1-yl)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(5R)-5-(azepan-1-ium-1-yl)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(5R)-5-(azepan-1-ium-1-yl)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(5R)-5-(1-azepan-1-iumyl)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(5R)-5-(azepan-1-ium-1-yl)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(5R)-5-(azepan-1-ium-1-yl)-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidino-methanone Formula: C19H31N4O+ MolecularWeight: 331.47564

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N4CCCC4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH+]3CCCCCC3)C(=N1)C(=O)N4CCCC4

InChI

InChI=1S/C19H30N4O/c1-21-17-9-8-15(22-10-4-2-3-5-11-22)14-16(17)18(20-21)19(24)23-12-6-7-13-23/h15H,2-14H2,1H3/p+1/t15-/m1/s1