[(5R)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enyl-azanium

Systemtic Name: [(5R)-3-(4-methylpiperazin-4-ium-1-yl)carbonyl-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enyl-azanium Openeye Name: allyl-[(5R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: [(5R)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enylammonium IUPAC Name: [(5R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enylazanium Traditional Name: allyl-[(5R)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C19H33N5O+2 MolecularWeight: 347.49822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N5O/c1-4-8-20-15-6-7-17-16(14-15)18(21-24(17)9-5-2)19(25)23-12-10-22(3)11-13-23/h4,15,20H,1,5-14H2,2-3H3/p+2/t15-/m1/s1