4-[(5R)-3-(azepan-1-ylcarbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-1,4-diazepan-4-ium-1-carbaldehyde

Systemtic Name: 4-[(5R)-3-(azepan-1-ylcarbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-1,4-diazepan-4-ium-1-carbaldehyde Openeye Name: 4-[(5R)-3-(azepane-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-1,4-diazepan-4-ium-1-carbaldehyde CAS Name: 4-[(5R)-3-[1-azepanyl(oxo)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-1,4-diazepan-4-ium-1-carboxaldehyde IUPAC Name: 4-[(5R)-3-(azepane-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-1,4-diazepan-4-ium-1-carbaldehyde Traditional Name: 4-[(5R)-3-(azepane-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-1,4-diazepan-4-ium-1-carbaldehyde Formula: C23H38N5O2+ MolecularWeight: 416.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH+]3CCCN(CC3)C=O)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH+]3CCCN(CC3)C=O)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H37N5O2/c1-2-10-28-21-9-8-19(26-14-7-11-25(18-29)15-16-26)17-20(21)22(24-28)23(30)27-12-5-3-4-6-13-27/h18-19H,2-17H2,1H3/p+1/t19-/m1/s1