diethyl-[(5S)-1-ethyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: diethyl-[(5S)-1-ethyl-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: diethyl-[(5S)-1-ethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: diethyl-[(5S)-1-ethyl-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: diethyl-[(5S)-1-ethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: diethyl-[(5S)-1-ethyl-3-(4-methylpiperazin-4-ium-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C19H35N5O+2 MolecularWeight: 349.5141

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+](CC)CC)C(=N1)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCN1C2=C(C[C@H](CC2)[NH+](CC)CC)C(=N1)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H33N5O/c1-5-22(6-2)15-8-9-17-16(14-15)18(20-24(17)7-3)19(25)23-12-10-21(4)11-13-23/h15H,5-14H2,1-4H3/p+2/t15-/m0/s1