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

Systemtic Name: 4-[(5R)-3-(azepan-1-ylcarbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(5R)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(5R)-3-[1-azepanyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(5R)-3-(azepane-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(5R)-1-allyl-3-(azepane-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]piperazin-4-ium-1-carbaldehyde Formula: C22H34N5O2+ MolecularWeight: 400.53766

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH+]3CCN(CC3)C=O)C(=N1)C(=O)N4CCCCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH+]3CCN(CC3)C=O)C(=N1)C(=O)N4CCCCCC4

InChI

InChI=1S/C22H33N5O2/c1-2-9-27-20-8-7-18(25-14-12-24(17-28)13-15-25)16-19(20)21(23-27)22(29)26-10-5-3-4-6-11-26/h2,17-18H,1,3-16H2/p+1/t18-/m1/s1