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

Systemtic Name: (5S)-5-(azepan-1-ium-1-yl)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-1-allyl-5-(azepan-1-ium-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-5-(1-azepan-1-iumyl)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-5-(azepan-1-ium-1-yl)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-1-allyl-5-(azepan-1-ium-1-yl)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C19H31N4O+ MolecularWeight: 331.47564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCCCCC3)CC=C

Isomeric SMILES

CN(C)C(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCCCCC3)CC=C

InChI

InChI=1S/C19H30N4O/c1-4-11-23-17-10-9-15(22-12-7-5-6-8-13-22)14-16(17)18(20-23)19(24)21(2)3/h4,15H,1,5-14H2,2-3H3/p+1/t15-/m0/s1