3-methylbutyl-[(5R)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: 3-methylbutyl-[(5R)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: isopentyl-[(5R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 3-methylbutyl-[(5R)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-methylbutyl-[(5R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: isoamyl-[(5R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H39N5O+2 MolecularWeight: 377.56726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]CCC(C)C)C(=N1)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CCC(C)C)C(=N1)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H37N5O/c1-5-10-26-19-7-6-17(22-9-8-16(2)3)15-18(19)20(23-26)21(27)25-13-11-24(4)12-14-25/h16-17,22H,5-15H2,1-4H3/p+2/t17-/m1/s1