(5S)-5-(azocan-1-ium-1-yl)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5S)-5-(azocan-1-ium-1-yl)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-1-allyl-5-(azocan-1-ium-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-5-(1-azocan-1-iumyl)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-5-(azocan-1-ium-1-yl)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-1-allyl-5-(azocan-1-ium-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCCCCCC3)CC=C

Isomeric SMILES

CN(C)C(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCCCCCC3)CC=C

InChI

InChI=1S/C20H32N4O/c1-4-12-24-18-11-10-16(23-13-8-6-5-7-9-14-23)15-17(18)19(21-24)20(25)22(2)3/h4,16H,1,5-15H2,2-3H3/p+1/t16-/m0/s1