2-acetamidoethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 2-acetamidoethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-acetamidoethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-acetamidoethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-acetamidoethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-acetamidoethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]C1CCC2=C(C1)C(=NN2CCC3=CC=CC=C3)C(=O)NC

Isomeric SMILES

CC(=O)NCC[NH2+][C@H]1CCC2=C(C1)C(=NN2CCC3=CC=CC=C3)C(=O)NC

InChI

InChI=1S/C21H29N5O2/c1-15(27)23-11-12-24-17-8-9-19-18(14-17)20(21(28)22-2)25-26(19)13-10-16-6-4-3-5-7-16/h3-7,17,24H,8-14H2,1-2H3,(H,22,28)(H,23,27)/p+1/t17-/m0/s1